Dataset

wil139981_oa[7]

This dataset contains NMR spectra obtained for the sample -wil139981_oa date: 2019-10-01T20:28:31.000Z isFt: false name: wil139981_oa/1 phc0: 56.34368 phc1: -36.22544 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: 297.9998 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: 2019-10-01T20:28:31.000Z isFt: true name: wil139981_oa/1 phc0: 56.34368 phc1: -36.22544 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: 297.9998 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: 2019-10-02T11:24:40.000Z isFt: false name: wil139981_oa/10 phc0: -126.0062,90 phc1: -30.55,-180 type: NMR FID DECIM: 3669.33333333333 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: 0.00009173333333333364 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9855194091797 temperature: 298.0018 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 digitalFilter: 67.9855194091797 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: noesygpph spectralWidth: 10.8941311367154,10.8980911989243 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0008256000000000028 frequencyOffset: 2726.6999999824293,2726.6999999824293 originFrequency: 500.3227267,500.3227267 pulseStrength90: 25000 experimentNumber: 10 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2019-10-02T11:24:40.000Z isFt: true name: wil139981_oa/10 phc0: -126.0062,90 phc1: -30.55,-180 type: NMR Spectrum DECIM: 3669.33333333333 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: 1.2104590151906 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9855194091797 temperature: 298.0018 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: noesygpph spectralWidth: 10.8941311367154,10.8980911989243 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0008256000000000028 frequencyOffset: 2726.6999999824293,2726.6999999824293 originFrequency: 500.3227267,500.3227267 pulseStrength90: 25000 experimentNumber: 10 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2019-10-01T23:49:15.000Z isFt: false name: wil139981_oa/100004 phc0: 120.1337 phc1: 323.55 type: NMR FID DECIM: 200 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 19F reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 68.003173828125 temperature: 298.0002 spectrumSize: 524288 baseFrequency: 470.771155835 digitalFilter: 68.003173828125 fieldStrength: 11.75363149536451 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 212.438675905523 numberOfPoints: 1 relaxationTime: 1 acquisitionTime: 0 frequencyOffset: -47077.11558302208 originFrequency: 470.724078719417 pulseStrength90: 17857.14285714286 experimentNumber: 100004 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-01T23:05:19.000Z isFt: false name: wil139981_oa/2 phc0: -18.72757 phc1: -219.7125 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: 298.0007 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 2048 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 29 relaxationTime: 2.38 acquisitionTime: 0.00044799999999999896 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-01T23:05:19.000Z isFt: true name: wil139981_oa/2 phc0: -18.72757 phc1: -219.7125 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: 8.870406208869143 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9837951660156 temperature: 298.0007 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 2048 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 29 relaxationTime: 2.38 acquisitionTime: 0.00044799999999999896 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-01T23:40:21.000Z isFt: false name: wil139981_oa/3 phc0: 12.40508 phc1: -273.1274 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: 297.9992 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 480 pulseSequence: deptsp135 spectralWidth: 248.371373842747 numberOfPoints: 45 relaxationTime: 2 acquisitionTime: 0.0007039999999999999 frequencyOffset: 14087.709999998311 originFrequency: 125.81965271 pulseStrength90: 29411.764705882353 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-01T23:40:21.000Z isFt: true name: wil139981_oa/3 phc0: 12.40508 phc1: -273.1274 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: 5.644803950971522 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9837951660156 temperature: 297.9992 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 480 pulseSequence: deptsp135 spectralWidth: 248.371373842747 numberOfPoints: 45 relaxationTime: 2 acquisitionTime: 0.0007039999999999999 frequencyOffset: 14087.709999998311 originFrequency: 125.81965271 pulseStrength90: 29411.764705882353 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-01T23:49:15.000Z isFt: false name: wil139981_oa/4 phc0: 60.8 phc1: 0 type: NMR FID DECIM: 200 aqMod: 3 isFid: true tdOff: -46 title: Parameter file, TopSpin 3.6.1 DSPFVS: 0 nucleus: 19F reverse: false solvent: DMSO dimension: 1 increment: 0.000004999999999999994 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 68.003173828125 temperature: 298.0002 spectrumSize: 524288 baseFrequency: 470.771155835 digitalFilter: 68.003173828125 fieldStrength: 11.75363149536451 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 212.438675905523 numberOfPoints: 40 relaxationTime: 1 acquisitionTime: 0.00019499999999999975 frequencyOffset: -47077.11558302208 originFrequency: 470.724078719417 pulseStrength90: 17857.14285714286 experimentNumber: 4 acquisitionScheme: undefined linearPredictionBin: 262144 lpNumberOfCoefficients: 131072 windowMultiplicationMode: 1 date: 2019-10-01T23:49:15.000Z isFt: true name: wil139981_oa/4 phc0: 60.8 phc1: 0 type: NMR Spectrum DECIM: 200 aqMod: 3 isFid: false tdOff: -46 title: Parameter file, TopSpin 3.6.1 DSPFVS: 0 nucleus: 19F reverse: false solvent: DMSO dimension: 1 increment: 5.447145536039051 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 68.003173828125 temperature: 298.0002 spectrumSize: 524288 baseFrequency: 470.771155835 fieldStrength: 11.75363149536451 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 212.438675905523 numberOfPoints: 40 relaxationTime: 1 acquisitionTime: 0.00019499999999999975 frequencyOffset: -47077.11558302208 originFrequency: 470.724078719417 pulseStrength90: 17857.14285714286 experimentNumber: 4 acquisitionScheme: undefined linearPredictionBin: 262144 lpNumberOfCoefficients: 131072 windowMultiplicationMode: 1 date: 2019-10-01T23:53:15.000Z isFt: false name: wil139981_oa/5 phc0: 275.0793 phc1: -1.51229e-13 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: 298.0005 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: 5 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-01T23:53:15.000Z isFt: true name: wil139981_oa/5 phc0: 275.0793 phc1: -1.51229e-13 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: 298.0005 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: 5 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-02T07:06:19.000Z isFt: false name: wil139981_oa/6 phc0: 58.75045 phc1: -36.72596 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: 297.9987 spectrumSize: 32768 baseFrequency: 500.32 digitalFilter: 67.9862518310547 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 23 relaxationTime: 2 acquisitionTime: 0.001100000000000002 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 6 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-02T07:06:19.000Z isFt: true name: wil139981_oa/6 phc0: 58.75045 phc1: -36.72596 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: 0.9085038530232729 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 297.9987 spectrumSize: 32768 baseFrequency: 500.32 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 23 relaxationTime: 2 acquisitionTime: 0.001100000000000002 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 6 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-02T07:08:05.000Z isFt: false name: wil139981_oa/7 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3669.33333333333 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: 0.00009173333333333364 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.9855194091797 temperature: 297.9998 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 digitalFilter: 67.9855194091797 fieldStrength: 11.750813280087803 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 10.8941311367154,10.8980911989243 numberOfPoints: 17 relaxationTime: 2 acquisitionTime: 0.0014677333333333383 frequencyOffset: 2726.6999999824293,2726.6999999824293 originFrequency: 500.3227267,500.3227267 pulseStrength90: 25000 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-10-02T07:08:05.000Z isFt: true name: wil139981_oa/7 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3669.33333333333 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: 0.6808831960447125 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.9855194091797 temperature: 297.9998 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 fieldStrength: 11.750813280087803 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 10.8941311367154,10.8980911989243 numberOfPoints: 17 relaxationTime: 2 acquisitionTime: 0.0014677333333333383 frequencyOffset: 2726.6999999824293,2726.6999999824293 originFrequency: 500.3227267,500.3227267 pulseStrength90: 25000 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-10-02T07:29:08.000Z isFt: false name: wil139981_oa/8 phc0: 134.657,0 phc1: -7.4,0 type: NMR FID DECIM: 3669.33333333333 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: 0.00009173333333333364 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 67.9855194091797 temperature: 297.9994 spectrumSize: 2048,4096 baseFrequency: 500.32,125.805565 digitalFilter: 67.9855194091797 fieldStrength: 11.750813280087803 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.2 spectralWidth: 10.8941311367154,132.469763317184 numberOfPoints: 19 relaxationTime: 2 acquisitionTime: 0.0016512000000000057 frequencyOffset: 2726.6999999824293,9309.64999999162 originFrequency: 500.3227267,125.81487465 pulseStrength90: 25000 experimentNumber: 8 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,2048 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2019-10-02T07:29:08.000Z isFt: true name: wil139981_oa/8 phc0: 134.657,0 phc1: -7.4,0 type: NMR Spectrum DECIM: 3669.33333333333 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: 0.6052295075953 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 67.9855194091797 temperature: 297.9994 spectrumSize: 2048,4096 baseFrequency: 500.32,125.805565 fieldStrength: 11.750813280087803 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.2 spectralWidth: 10.8941311367154,132.469763317184 numberOfPoints: 19 relaxationTime: 2 acquisitionTime: 0.0016512000000000057 frequencyOffset: 2726.6999999824293,9309.64999999162 originFrequency: 500.3227267,125.81487465 pulseStrength90: 25000 experimentNumber: 8 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,2048 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2019-10-02T08:46:45.000Z isFt: false name: wil139981_oa/9 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3669.33333333333 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: 0.00009173333333333364 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.9855194091797 temperature: 297.9977 spectrumSize: 2048,4096 baseFrequency: 500.32,125.805565 digitalFilter: 67.9855194091797 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 10.8941311367154,175.066933290317 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.0011008000000000038 frequencyOffset: 2726.6999999824293,11637.050000004478 originFrequency: 500.3227267,125.81720205 pulseStrength90: 25000 experimentNumber: 9 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,2048 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2019-10-02T08:46:45.000Z isFt: true name: wil139981_oa/9 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 3669.33333333333 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: 0.9078442613929499 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.9855194091797 temperature: 297.9977 spectrumSize: 2048,4096 baseFrequency: 500.32,125.805565 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 10.8941311367154,175.066933290317 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.0011008000000000038 frequencyOffset: 2726.6999999824293,11637.050000004478 originFrequency: 500.3227267,125.81720205 pulseStrength90: 25000 experimentNumber: 9 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,2048 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4

Chemical Information

InChI	InChI=1S/C51H55BF2N10O8S2.K/c1-34-27-36(3)63-50(34)49(51-35(2)28-37(4)64(51)52(63,53)54)40-11-21-46(22-12-40)71-31-44-30-62(60-58-44)23-24-69-25-26-70-32-47(65)55-41-13-7-38(8-14-41)29-48(59-72-74(66,67)68)73-33-39-9-15-42(16-10-39)56-57-43-17-19-45(20-18-43)61(5)6;/h7-22,27-28,30H,23-26,29,31-33H2,1-6H3,(H,55,65)(H,66,67,68);/q;+1/p-1/b57-56+,59-48-;
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=N/C6=CC=C(N(C)C)C=C6)C=C5)C=C4)N=N3)C=C1)C1=C(C)C=C(C)N1[B-]2(F)F.[K+]
InChI Key	BXDUCKWQNZDYCH-DISCXIJYSA-M

Data and Resources

wil139981_oa[7]HTML

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Related Molecule ⌄

nfdi4chem-mol5388 (Unknown Molecule)

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p79.s686.d3415
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D3415
Version
Author
Maintainer
Language	english
MetadataPublished	2024-02-18T20:00:49.000000Z
Related Molecule	nfdi4chem-mol5388 (Unknown Molecule)

Field	Value
Measurement Technique	correlation spectroscopy
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 : 1 scans nuclear magnetic resonance pulse sequence : cosygpppqf Spectral Width : [10.8941311367154, 10.8980911989243] number of data points : 17 points relaxation time measurement : 2 seconds

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