Dataset

wil139033_oa[13]

This dataset contains NMR spectra obtained for the sample -wil139033_oa date: 2019-06-19T11:51:49.000Z isFt: false name: wil139033_oa/1 phc0: 89.32172 phc1: -12.00799 type: NMR FID DECIM: 2432 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 2.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00006080000000000004 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0021 experiment: 1d groupDelay: 67.9842224121094 temperature: 299.26 spectrumSize: 32768 baseFrequency: 400.4 digitalFilter: 67.9842224121094 fieldStrength: 9.4040326937703 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 20.5385450207386 numberOfPoints: 14 relaxationTime: 1 acquisitionTime: 0.0007904000000000006 frequencyOffset: 2472.6299999997536 originFrequency: 400.40247263 pulseStrength90: 24509.80392156863 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T11:51:49.000Z isFt: true name: wil139033_oa/1 phc0: 89.32172 phc1: -12.00799 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 2.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 1.5798880785183538 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0021 experiment: 1d groupDelay: 67.9842224121094 temperature: 299.26 spectrumSize: 32768 baseFrequency: 400.4 fieldStrength: 9.4040326937703 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 20.5385450207386 numberOfPoints: 14 relaxationTime: 1 acquisitionTime: 0.0007904000000000006 frequencyOffset: 2472.6299999997536 originFrequency: 400.40247263 pulseStrength90: 24509.80392156863 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T16:06:58.000Z isFt: false name: wil139033_oa/10 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 4872 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00012179999999999995 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.9853515625 temperature: 297.9999 spectrumSize: 2048,2048 baseFrequency: 500.32,125.805565 digitalFilter: 67.9853515625 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 8.20488762471139,179.818533241539 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0012179999999999995 frequencyOffset: 2551.600000003873,12580.556499997896 originFrequency: 500.3225516,125.8181455565 pulseStrength90: 25000 experimentNumber: 10 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2019-06-19T16:06:58.000Z isFt: true name: wil139033_oa/10 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 4872 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.820488762471139 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.9853515625 temperature: 297.9999 spectrumSize: 2048,2048 baseFrequency: 500.32,125.805565 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 8.20488762471139,179.818533241539 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0012179999999999995 frequencyOffset: 2551.600000003873,12580.556499997896 originFrequency: 500.3225516,125.8181455565 pulseStrength90: 25000 experimentNumber: 10 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2019-06-19T17:29:50.000Z isFt: false name: wil139033_oa/11 phc0: 55.92103 phc1: -32.7537 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00005000000000000009 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 297.9982 spectrumSize: 32768 baseFrequency: 500.32 digitalFilter: 67.9862518310547 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0005000000000000009 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T17:29:50.000Z isFt: true name: wil139033_oa/11 phc0: 55.92103 phc1: -32.7537 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 1.9987084766512002 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 297.9982 spectrumSize: 32768 baseFrequency: 500.32 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0005000000000000009 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T20:06:25.000Z isFt: false name: wil139033_oa/12 phc0: 365.671 phc1: -216.707 type: NMR FID DECIM: 640 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 0.000015999999999999962 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9837951660156 temperature: 297.9991 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 2048 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 42 relaxationTime: 2.38 acquisitionTime: 0.0006559999999999985 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 12 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T20:06:25.000Z isFt: true name: wil139033_oa/12 phc0: 365.671 phc1: -216.707 type: NMR Spectrum DECIM: 640 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 6.0578383865447805 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9837951660156 temperature: 297.9991 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 2048 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 42 relaxationTime: 2.38 acquisitionTime: 0.0006559999999999985 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 12 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-20T09:32:41.000Z isFt: false name: wil139033_oa/13 phc0: 52.39328 phc1: -35.76256 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00005000000000000009 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 297.9999 spectrumSize: 32768 baseFrequency: 500.32 digitalFilter: 67.9862518310547 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 16 relaxationTime: 2 acquisitionTime: 0.0007500000000000013 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 13 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-20T09:32:41.000Z isFt: true name: wil139033_oa/13 phc0: 52.39328 phc1: -35.76256 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 1.3324723177674669 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 297.9999 spectrumSize: 32768 baseFrequency: 500.32 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 16 relaxationTime: 2 acquisitionTime: 0.0007500000000000013 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 13 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T11:58:27.000Z isFt: false name: wil139033_oa/2 phc0: 52.42268 phc1: 271.4005 type: NMR FID DECIM: 266.666666666667 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 2.1 DSPFVS: 20 nucleus: 19F reverse: false solvent: DMSO dimension: 1 increment: 0.0000066666666666666734 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0021 experiment: 1d groupDelay: 68.0023498535156 temperature: 299.86 spectrumSize: 131072 baseFrequency: 376.752408 digitalFilter: 68.0023498535156 fieldStrength: 9.406287776422857 numberOfScans: 64 pulseSequence: zgfhigqn30.i spectralWidth: 199.089575872373 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.00006666666666666674 frequencyOffset: -37556.550022998184 originFrequency: 376.714851449977 pulseStrength90: 22361.359570661898 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T11:58:27.000Z isFt: true name: wil139033_oa/2 phc0: 52.42268 phc1: 271.4005 type: NMR Spectrum DECIM: 266.666666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 2.1 DSPFVS: 20 nucleus: 19F reverse: false solvent: DMSO dimension: 1 increment: 19.9089575872373 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0021 experiment: 1d groupDelay: 68.0023498535156 temperature: 299.86 spectrumSize: 131072 baseFrequency: 376.752408 fieldStrength: 9.406287776422857 numberOfScans: 64 pulseSequence: zgfhigqn30.i spectralWidth: 199.089575872373 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.00006666666666666674 frequencyOffset: -37556.550022998184 originFrequency: 376.714851449977 pulseStrength90: 22361.359570661898 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T12:04:46.000Z isFt: false name: wil139033_oa/3 phc0: -118.3637 phc1: 0.5094935 type: NMR FID DECIM: 720 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 2.1 DSPFVS: 20 nucleus: 11B reverse: false solvent: DMSO dimension: 1 increment: 0.000017999999999999984 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0021 experiment: 1d groupDelay: 67.9895935058594 temperature: 300.46 spectrumSize: 32768 baseFrequency: 128.464232 digitalFilter: 67.9895935058594 numberOfScans: 128 pulseSequence: zgpg spectralWidth: 216.229667922274 numberOfPoints: 19 relaxationTime: 1 acquisitionTime: 0.0003239999999999997 frequencyOffset: -2.0694299962542573 originFrequency: 128.46422993057 pulseStrength90: 29239.76608187134 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T12:04:46.000Z isFt: true name: wil139033_oa/3 phc0: -118.3637 phc1: 0.5094935 type: NMR Spectrum DECIM: 720 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 2.1 DSPFVS: 20 nucleus: 11B reverse: false solvent: DMSO dimension: 1 increment: 12.012759329015221 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0021 experiment: 1d groupDelay: 67.9895935058594 temperature: 300.46 spectrumSize: 32768 baseFrequency: 128.464232 numberOfScans: 128 pulseSequence: zgpg spectralWidth: 216.229667922274 numberOfPoints: 19 relaxationTime: 1 acquisitionTime: 0.0003239999999999997 frequencyOffset: -2.0694299962542573 originFrequency: 128.46422993057 pulseStrength90: 29239.76608187134 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T12:18:51.000Z isFt: false name: wil139033_oa/4 phc0: 54.52704 phc1: -29.30957 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00005000000000000009 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.0005 spectrumSize: 32768 baseFrequency: 500.32 digitalFilter: 67.9862518310547 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 20 relaxationTime: 2 acquisitionTime: 0.0009500000000000017 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 4 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T12:18:51.000Z isFt: true name: wil139033_oa/4 phc0: 54.52704 phc1: -29.30957 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 1.0519518298164212 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.0005 spectrumSize: 32768 baseFrequency: 500.32 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 20 relaxationTime: 2 acquisitionTime: 0.0009500000000000017 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 4 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T13:04:14.000Z isFt: false name: wil139033_oa/5 phc0: 341.6578 phc1: -224.6752 type: NMR FID DECIM: 640 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 0.000015999999999999962 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9837951660156 temperature: 297.9994 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 576 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 121 relaxationTime: 2.38 acquisitionTime: 0.0019199999999999955 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 5 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T13:04:14.000Z isFt: true name: wil139033_oa/5 phc0: 341.6578 phc1: -224.6752 type: NMR Spectrum DECIM: 640 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 2.0697614487361333 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9837951660156 temperature: 297.9994 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 576 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 121 relaxationTime: 2.38 acquisitionTime: 0.0019199999999999955 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 5 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T14:59:27.000Z isFt: false name: wil139033_oa/6 phc0: -12.72083 phc1: -246.1366 type: NMR FID DECIM: 640 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 0.000015999999999999996 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9837951660156 temperature: 298 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 1632 pulseSequence: deptsp135 spectralWidth: 248.371373842747 numberOfPoints: 79 relaxationTime: 2 acquisitionTime: 0.0012479999999999998 frequencyOffset: 14087.709999998311 originFrequency: 125.81965271 pulseStrength90: 29411.764705882353 experimentNumber: 6 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T14:59:27.000Z isFt: true name: wil139033_oa/6 phc0: -12.72083 phc1: -246.1366 type: NMR Spectrum DECIM: 640 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 3.1842483825993204 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9837951660156 temperature: 298 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 1632 pulseSequence: deptsp135 spectralWidth: 248.371373842747 numberOfPoints: 79 relaxationTime: 2 acquisitionTime: 0.0012479999999999998 frequencyOffset: 14087.709999998311 originFrequency: 125.81965271 pulseStrength90: 29411.764705882353 experimentNumber: 6 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T15:02:51.000Z isFt: false name: wil139033_oa/7 phc0: 52.41249 phc1: -28.03451 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00005000000000000009 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.0005 spectrumSize: 32768 baseFrequency: 500.32 digitalFilter: 67.9862518310547 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 15 relaxationTime: 2 acquisitionTime: 0.0007000000000000013 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 7 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T15:02:51.000Z isFt: true name: wil139033_oa/7 phc0: 52.41249 phc1: -28.03451 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 1.4276489118937143 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.0005 spectrumSize: 32768 baseFrequency: 500.32 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 15 relaxationTime: 2 acquisitionTime: 0.0007000000000000013 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 7 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T15:04:40.000Z isFt: false name: wil139033_oa/8 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 4872 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 0.00012179999999999995 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.9853515625 temperature: 297.9993 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 digitalFilter: 67.9853515625 fieldStrength: 11.750813280087803 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 8.20488762471139,8.20488762471138 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0006089999999999997 frequencyOffset: 2551.600000003873,2551.600000003873 originFrequency: 500.3225516,500.3225516 pulseStrength90: 25000 experimentNumber: 8 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-06-19T15:04:40.000Z isFt: true name: wil139033_oa/8 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 4872 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 1.640977524942278 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.9853515625 temperature: 297.9993 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 fieldStrength: 11.750813280087803 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 8.20488762471139,8.20488762471138 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0006089999999999997 frequencyOffset: 2551.600000003873,2551.600000003873 originFrequency: 500.3225516,500.3225516 pulseStrength90: 25000 experimentNumber: 8 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-06-19T15:26:23.000Z isFt: false name: wil139033_oa/9 phc0: 129.4783,0 phc1: -2.25,0 type: NMR FID DECIM: 4872 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00012179999999999995 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 67.9853515625 temperature: 298.0005 spectrumSize: 2048,2048 baseFrequency: 500.32,125.805565 digitalFilter: 67.9853515625 fieldStrength: 11.750813280087803 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.2 spectralWidth: 8.20488762471139,129.872187154476 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0013397999999999995 frequencyOffset: 2551.600000003873,9435.417375001976 originFrequency: 500.3225516,125.815000417375 pulseStrength90: 25000 experimentNumber: 9 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2019-06-19T15:26:23.000Z isFt: true name: wil139033_oa/9 phc0: 129.4783,0 phc1: -2.25,0 type: NMR Spectrum DECIM: 4872 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.7458988749737627 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 67.9853515625 temperature: 298.0005 spectrumSize: 2048,2048 baseFrequency: 500.32,125.805565 fieldStrength: 11.750813280087803 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.2 spectralWidth: 8.20488762471139,129.872187154476 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0013397999999999995 frequencyOffset: 2551.600000003873,9435.417375001976 originFrequency: 500.3225516,125.815000417375 pulseStrength90: 25000 experimentNumber: 9 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4

Chemical Information

InChI	InChI=1S/C37H34BF2N7O7S2.K/c1-23-17-25(3)45-36(23)35(37-24(2)18-26(4)46(37)38(45,39)40)29-9-15-33(16-10-29)53-21-30-20-44(43-41-30)31-11-5-27(6-12-31)19-34(42-54-56(50,51)52)55-22-28-7-13-32(14-8-28)47(48)49;/h5-18,20H,19,21-22H2,1-4H3,(H,50,51,52);/q;+1/p-1/b42-34-;
SMILES	CC1=CC(C)=[N+]2C1=C(C1=CC=C(OCC3=CN(C4=CC=C(C/C(=N/OS(=O)(=O)[O-])SCC5=CC=C([N+](=O)[O-])C=C5)C=C4)N=N3)C=C1)C1=C(C)C=C(C)N1[B-]2(F)F.[K+]
InChI Key	CCARFXUZEVVFKM-NUNPMISSSA-M

Data and Resources

wil139033_oa[13]HTML

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Related Molecule ⌄

nfdi4chem-mol5566 (Unknown Molecule)

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p60.s395.d2028
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D2028
Version
Author
Maintainer
Language	english
MetadataPublished	2024-02-18T19:41:59.000000Z
Related Molecule	nfdi4chem-mol5566 (Unknown Molecule)

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) Temperature : 297.9999 K magnetic field strength : 11.750813280087803 Tesla number of scans : 24 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 19.987084766512 number of data points : 16 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.