DOI: 10.57992/nmrxiv.p112.s1161
title: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB

description: This dataset contains NMR spectra obtained for the sample -PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB date: 2021-05-28T07:27:58.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/1 phc0: -269.8759 phc1: 37.59049 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 2.7769316467050333 isComplex: true probeName: Z8323_0045 (TXI) experiment: null groupDelay: 67.9862518310547 temperature: 299.9999 spectrumSize: 131072 baseFrequency: 600.18 fieldStrength: 14.09618467069695 numberOfScans: 32 pulseSequence: MF1h spectralWidth: 16.6615898802302 numberOfPoints: 7 relaxationTime: 1.3 acquisitionTime: 0.00029999999999999927 frequencyOffset: 2820.000000042455 originFrequency: 600.18282 pulseStrength90: 29761.90476190476 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 4 date: 2021-05-21T13:29:16.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/10 phc0: 87.6829 phc1: 46.1188 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 2.3816556863020715 isComplex: true probeName: Z114607_0090 (PA BBO 600S3 BBF-H-D-05 Z SP) experiment: proton groupDelay: 67.9862518310547 temperature: 299.9993 spectrumSize: 32768 baseFrequency: 599.82 fieldStrength: 14.087729496446808 numberOfScans: 128 pulseSequence: MF1h spectralWidth: 16.6715898041145 numberOfPoints: 8 relaxationTime: 1.3 acquisitionTime: 0.0003499999999999697 frequencyOffset: 2819.3889999101884 originFrequency: 599.822819389 pulseStrength90: 25000 experimentNumber: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 4 date: 2021-05-24T08:04:10.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/11 phc0: 62.94744 phc1: 114.7128 type: NMR Spectrum DECIM: 440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 27.39482469939736 isComplex: true probeName: Z114607_0090 (PA BBO 600S3 BBF-H-D-05 Z SP) experiment: c13 groupDelay: 67.992919921875 temperature: 299.9936 spectrumSize: 131072 baseFrequency: 150.82485945 fieldStrength: 14.084728600244373 numberOfScans: 20480 pulseSequence: MFhetero1d spectralWidth: 301.343071693371 numberOfPoints: 12 relaxationTime: 2.5 acquisitionTime: 0.00012099999999974397 frequencyOffset: 14996.2640000183 originFrequency: 150.839855714 pulseStrength90: 25000 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-05-28T07:33:50.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/2 phc0: -162.6635,-179.1989 phc1: 7.682395,0 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00004999999999999988 isComplex: true probeName: Z8323_0045 (TXI) experiment: hsqc groupDelay: 67.9862518310547 temperature: 299.9984 spectrumSize: 4096,2048 baseFrequency: 600.18,150.915381 digitalFilter: 67.9862518310547 fieldStrength: 14.09618467069695 numberOfScans: 32 pulseSequence: MFbihsqcf2 spectralWidth: 16.6615898802302,165.642135823888 numberOfPoints: 5 relaxationTime: 1.3 acquisitionTime: 0.00019999999999999952 frequencyOffset: 2820.000000042455,12400.000000013733 originFrequency: 600.18282,150.927781 pulseStrength90: 29761.90476190476 experimentNumber: 2 acquisitionScheme: States-TPPI linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,8 windowMultiplicationMode: 4,4 date: 2021-05-28T12:26:55.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/3 phc0: 90.97188,0 phc1: 38.4,0 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00004999999999999988 isComplex: true probeName: Z8323_0045 (TXI) experiment: hmqc groupDelay: 67.9862518310547 temperature: 300.0029 spectrumSize: 4096,2048 baseFrequency: 600.18,150.915381 digitalFilter: 67.9862518310547 fieldStrength: 14.09618467069695 numberOfScans: 32 pulseSequence: MFbidepthmqc180f2 spectralWidth: 16.6615898802302,165.642135823888 numberOfPoints: 4 relaxationTime: 1.3 acquisitionTime: 0.00014999999999999963 frequencyOffset: 2820.000000042455,12400.000000013733 originFrequency: 600.18282,150.927781 pulseStrength90: 29761.90476190476 experimentNumber: 3 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2021-05-28T15:01:10.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/4 phc0: -127.4936,-179.4485 phc1: 35.7006,0 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 0.00004999999999999989 isComplex: true probeName: Z8323_0045 (TXI) experiment: cosy groupDelay: 67.9862518310547 temperature: 299.9973 spectrumSize: 4096,2048 baseFrequency: 600.18,600.18 digitalFilter: 67.9862518310547 fieldStrength: 14.09618467069695 numberOfScans: 16 pulseSequence: MFclipcosy spectralWidth: 16.6615898802302,13.8846582335251 numberOfPoints: 10 relaxationTime: 1.3 acquisitionTime: 0.00044999999999999896 frequencyOffset: 2820.000000042455,2820.000000042455 originFrequency: 600.18282,600.18282 pulseStrength90: 29761.90476190476 experimentNumber: 4 acquisitionScheme: States-TPPI linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,8 windowMultiplicationMode: 4,4 date: 2021-05-28T22:23:52.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00004999999999999988 isComplex: true probeName: Z8323_0045 (TXI) experiment: hmbc groupDelay: 67.9862518310547 temperature: 300.0018 spectrumSize: 4096,2048 baseFrequency: 600.18,150.915381 digitalFilter: 67.9862518310547 fieldStrength: 14.09618467069695 numberOfScans: 64 pulseSequence: MFhmbceaf2 spectralWidth: 16.6615898802302,207.04944594529 numberOfPoints: 5 relaxationTime: 1.3 acquisitionTime: 0.00019999999999999952 frequencyOffset: 2820.000000042455,14749.99999999227 originFrequency: 600.18282,150.930131 pulseStrength90: 29761.90476190476 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2021-05-30T03:26:29.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/6 phc0: 121.4552,-219.3784 phc1: -105.125,80.10001 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 0.00004999999999999988 isComplex: true probeName: Z8323_0045 (TXI) experiment: roesy groupDelay: 67.9862518310547 temperature: 299.9984 spectrumSize: 4096,2048 baseFrequency: 600.18,600.18 digitalFilter: 67.9862518310547 fieldStrength: 14.09618467069695 numberOfScans: 32 pulseSequence: MFroesy spectralWidth: 16.6615898802302,13.8846582335251 numberOfPoints: 20 relaxationTime: 1.3 acquisitionTime: 0.0009499999999999977 frequencyOffset: 2820.000000042455,2820.000000042455 originFrequency: 600.18282,600.18282 pulseStrength90: 29761.90476190476 experimentNumber: 6 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2021-05-30T18:21:03.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/7 phc0: -84.46878,0.8467156 phc1: 35.42736,0 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00004999999999999988 isComplex: true probeName: Z8323_0045 (TXI) experiment: hsqc groupDelay: 67.9862518310547 temperature: 300.0017 spectrumSize: 4096,2048 baseFrequency: 600.18,150.915381 digitalFilter: 67.9862518310547 fieldStrength: 14.09618467069695 numberOfScans: 32 pulseSequence: MFbihsqcclipcosyf2 spectralWidth: 16.6615898802302,165.642135823888 numberOfPoints: 4 relaxationTime: 1.3 acquisitionTime: 0.00014999999999999963 frequencyOffset: 2820.000000042455,12400.000000013733 originFrequency: 600.18282,150.927781 pulseStrength90: 29761.90476190476 experimentNumber: 7 acquisitionScheme: States-TPPI linearPredictionBin: 0,134 lpNumberOfCoefficients: 0,8 windowMultiplicationMode: 4,4 date: 2021-05-30T23:56:49.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_5_ACB/8 phc0: -176.9432,-179.1989 phc1: 3.682395,0 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00004999999999999988 isComplex: true probeName: Z8323_0045 (TXI) experiment: hsqc groupDelay: 67.9862518310547 temperature: 300.0036 spectrumSize: 4096,2048 baseFrequency: 600.18,150.915381 digitalFilter: 67.9862518310547 fieldStrength: 14.09618467069695 numberOfScans: 32 pulseSequence: MFbihsqcdipf2 spectralWidth: 16.6615898802302,165.642135823888 numberOfPoints: 3 relaxationTime: 1.3 acquisitionTime: 0.00009999999999999976 frequencyOffset: 2820.000000042455,12400.000000013733 originFrequency: 600.18282,150.927781 pulseStrength90: 29761.90476190476 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,8 windowMultiplicationMode: 4,4