Dataset

wil140082_oa[9]

This dataset contains NMR spectra obtained for the sample -wil140082_oa date: 2019-10-18T02:18:24.000Z isFt: false name: wil140082_oa/1 phc0: 53.44955 phc1: -40.38387 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: 297.9997 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: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T02:18:24.000Z isFt: true name: wil140082_oa/1 phc0: 53.44955 phc1: -40.38387 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: 297.9997 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: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-21T05:17:37.000Z isFt: false name: wil140082_oa/10 phc0: -80.64235 phc1: -18.78579 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: 296.56 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: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-21T05:17:37.000Z isFt: true name: wil140082_oa/10 phc0: -80.64235 phc1: -18.78579 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: 296.56 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: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-21T05:23:49.000Z isFt: false name: wil140082_oa/11 phc0: 217.3697 phc1: 48.50684 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: 0.000006666666666666674 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0021 experiment: 1d groupDelay: 68.0023498535156 temperature: 297.16 spectrumSize: 131072 baseFrequency: 376.752408 digitalFilter: 68.0023498535156 fieldStrength: 9.406287776422857 numberOfScans: 64 pulseSequence: zgfhigqn30.i spectralWidth: 199.089575872373 numberOfPoints: 19 relaxationTime: 2 acquisitionTime: 0.00012000000000000014 frequencyOffset: -37556.550022998184 originFrequency: 376.714851449977 pulseStrength90: 22361.359570661898 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-21T05:23:49.000Z isFt: true name: wil140082_oa/11 phc0: 217.3697 phc1: 48.50684 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: 11.06053199290961 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0021 experiment: 1d groupDelay: 68.0023498535156 temperature: 297.16 spectrumSize: 131072 baseFrequency: 376.752408 fieldStrength: 9.406287776422857 numberOfScans: 64 pulseSequence: zgfhigqn30.i spectralWidth: 199.089575872373 numberOfPoints: 19 relaxationTime: 2 acquisitionTime: 0.00012000000000000014 frequencyOffset: -37556.550022998184 originFrequency: 376.714851449977 pulseStrength90: 22361.359570661898 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T02:56:18.000Z isFt: false name: wil140082_oa/2 phc0: 388.4447 phc1: -238.0454 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: 298.001 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 480 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 71 relaxationTime: 2.38 acquisitionTime: 0.0011199999999999973 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T02:56:18.000Z isFt: true name: wil140082_oa/2 phc0: 388.4447 phc1: -238.0454 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: 3.548162483547657 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9837951660156 temperature: 298.001 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 480 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 71 relaxationTime: 2.38 acquisitionTime: 0.0011199999999999973 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T03:11:23.000Z isFt: false name: wil140082_oa/3 phc0: 22.13536 phc1: -242.0034 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: 298.0005 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 192 pulseSequence: deptsp135 spectralWidth: 248.371373842747 numberOfPoints: 33 relaxationTime: 2 acquisitionTime: 0.0005119999999999999 frequencyOffset: 14087.709999998311 originFrequency: 125.81965271 pulseStrength90: 29411.764705882353 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T03:11:23.000Z isFt: true name: wil140082_oa/3 phc0: 22.13536 phc1: -242.0034 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: 7.761605432585844 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9837951660156 temperature: 298.0005 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 192 pulseSequence: deptsp135 spectralWidth: 248.371373842747 numberOfPoints: 33 relaxationTime: 2 acquisitionTime: 0.0005119999999999999 frequencyOffset: 14087.709999998311 originFrequency: 125.81965271 pulseStrength90: 29411.764705882353 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T03:14:46.000Z isFt: false name: wil140082_oa/4 phc0: 275.45 phc1: -9.701859e-7 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 11B reverse: false solvent: DMSO dimension: 1 increment: 0.000013999999999999983 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9910888671875 temperature: 298.0021 spectrumSize: 32768 baseFrequency: 160.522538 digitalFilter: 67.9910888671875 numberOfScans: 24 pulseSequence: zgpg spectralWidth: 222.48767157099 numberOfPoints: 21 relaxationTime: 1 acquisitionTime: 0.00027999999999999965 frequencyOffset: 0 originFrequency: 160.522538 pulseStrength90: 18315.018315018315 experimentNumber: 4 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T03:14:46.000Z isFt: true name: wil140082_oa/4 phc0: 275.45 phc1: -9.701859e-7 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 11B reverse: false solvent: DMSO dimension: 1 increment: 11.1243835785495 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9910888671875 temperature: 298.0021 spectrumSize: 32768 baseFrequency: 160.522538 numberOfScans: 24 pulseSequence: zgpg spectralWidth: 222.48767157099 numberOfPoints: 21 relaxationTime: 1 acquisitionTime: 0.00027999999999999965 frequencyOffset: 0 originFrequency: 160.522538 pulseStrength90: 18315.018315018315 experimentNumber: 4 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T07:20:27.000Z isFt: false name: wil140082_oa/5 phc0: 52.22465 phc1: -38.7646 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: 298.0004 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: 5 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T07:20:27.000Z isFt: true name: wil140082_oa/5 phc0: 52.22465 phc1: -38.7646 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: 298.0004 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: 5 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T07:22:05.000Z isFt: false name: wil140082_oa/6 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 4040 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: 0.00010099999999999999 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.9853057861328 temperature: 297.9992 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 digitalFilter: 67.9853057861328 fieldStrength: 11.750813280087803 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 9.89460458230106,9.89460458230106 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0005049999999999999 frequencyOffset: 2676.6999999949803,2676.6999999949803 originFrequency: 500.3226767,500.3226767 pulseStrength90: 25000 experimentNumber: 6 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-10-18T07:22:05.000Z isFt: true name: wil140082_oa/6 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 4040 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: 1.978920916460212 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.9853057861328 temperature: 297.9992 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 fieldStrength: 11.750813280087803 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 9.89460458230106,9.89460458230106 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.0005049999999999999 frequencyOffset: 2676.6999999949803,2676.6999999949803 originFrequency: 500.3226767,500.3226767 pulseStrength90: 25000 experimentNumber: 6 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-10-18T07:43:42.000Z isFt: false name: wil140082_oa/7 phc0: 100.7927,0 phc1: 22.6,0 type: NMR FID DECIM: 4040 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: 0.00010099999999999999 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 67.9853057861328 temperature: 297.9993 spectrumSize: 2048,1024 baseFrequency: 500.32,125.805565 digitalFilter: 67.9853057861328 fieldStrength: 11.750813280087803 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.2 spectralWidth: 9.89460458230106,137.989060821304 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0010099999999999998 frequencyOffset: 2676.6999999949803,9561.269999991851 originFrequency: 500.3226767,125.81512627 pulseStrength90: 25000 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2019-10-18T07:43:42.000Z isFt: true name: wil140082_oa/7 phc0: 100.7927,0 phc1: 22.6,0 type: NMR Spectrum DECIM: 4040 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: 0.989460458230106 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 67.9853057861328 temperature: 297.9993 spectrumSize: 2048,1024 baseFrequency: 500.32,125.805565 fieldStrength: 11.750813280087803 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.2 spectralWidth: 9.89460458230106,137.989060821304 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0010099999999999998 frequencyOffset: 2676.6999999949803,9561.269999991851 originFrequency: 500.3226767,125.81512627 pulseStrength90: 25000 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2019-10-18T08:04:26.000Z isFt: false name: wil140082_oa/8 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 4040 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: 0.00010099999999999997 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.9853057861328 temperature: 298.0002 spectrumSize: 2048,2048 baseFrequency: 500.32,125.805565 digitalFilter: 67.9853057861328 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 9.89460458230106,172.783278764626 numberOfPoints: 16 relaxationTime: 2 acquisitionTime: 0.0015149999999999996 frequencyOffset: 2676.6999999949803,11762.869999998315 originFrequency: 500.3226767,125.81732787 pulseStrength90: 25000 experimentNumber: 8 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2019-10-18T08:04:26.000Z isFt: true name: wil140082_oa/8 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 4040 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: 0.6596403054867374 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.9853057861328 temperature: 298.0002 spectrumSize: 2048,2048 baseFrequency: 500.32,125.805565 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 9.89460458230106,172.783278764626 numberOfPoints: 16 relaxationTime: 2 acquisitionTime: 0.0015149999999999996 frequencyOffset: 2676.6999999949803,11762.869999998315 originFrequency: 500.3226767,125.81732787 pulseStrength90: 25000 experimentNumber: 8 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2019-10-18T09:25:05.000Z isFt: false name: wil140082_oa/9 phc0: 42.72881,90 phc1: -26.75,-180 type: NMR FID DECIM: 4040 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: 0.00010099999999999997 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9853057861328 temperature: 297.9998 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 digitalFilter: 67.9853057861328 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: noesygpph spectralWidth: 9.89460458230106,9.89460458230106 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0011109999999999998 frequencyOffset: 2676.6999999949803,2676.6999999949803 originFrequency: 500.3226767,500.3226767 pulseStrength90: 25000 experimentNumber: 9 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2019-10-18T09:25:05.000Z isFt: true name: wil140082_oa/9 phc0: 42.72881,90 phc1: -26.75,-180 type: NMR Spectrum DECIM: 4040 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: 0.8995095074819145 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9853057861328 temperature: 297.9998 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: noesygpph spectralWidth: 9.89460458230106,9.89460458230106 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0011109999999999998 frequencyOffset: 2676.6999999949803,2676.6999999949803 originFrequency: 500.3226767,500.3226767 pulseStrength90: 25000 experimentNumber: 9 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4

Chemical Information

InChI	InChI=1S/C43H45BF2N8O10S2.K/c1-28-21-30(3)52-42(28)41(43-29(2)22-31(4)53(43)44(52,45)46)34-9-15-38(16-10-34)63-25-36-24-51(50-48-36)17-18-61-19-20-62-26-39(55)47-35-11-5-32(6-12-35)23-40(49-64-66(58,59)60)65-27-33-7-13-37(14-8-33)54(56)57;/h5-16,21-22,24H,17-20,23,25-27H2,1-4H3,(H,47,55)(H,58,59,60);/q;+1/p-1/b49-40-;
SMILES	CC1=CC(C)=[N+]2C1=C(C1=CC=C(OCC3=CN(CCOCCOCC(=O)NC4=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	DOJKYLSRROQVMZ-JRXBWLDWSA-M

Data and Resources

wil140082_oa[9]HTML

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Related Molecule ⌄

nfdi4chem-mol5460 (Unknown Molecule)

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p60.s397.d2048
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D2048
Version
Author
Maintainer
Language	english
MetadataPublished	2024-02-18T19:41:59.000000Z
Related Molecule	nfdi4chem-mol5460 (Unknown Molecule)

Field	Value
Measurement Technique	noesy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) Temperature : 297.9998 K magnetic field strength : 11.750813280087803 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : noesygpph Spectral Width : [9.89460458230106, 9.89460458230106] number of data points : 12 points relaxation time measurement : 2 seconds

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