DOI: 10.57992/nmrxiv.p112.s1155
title: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB

description: This dataset contains NMR spectra obtained for the sample -PCC9009_Schanbacher_ACBderivatives_cmp_4_CB date: 2023-09-29T09:02:22.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/1 phc0: -123.1527 phc1: 27.77842 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00004999999999999995 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: null groupDelay: 67.9862518310547 temperature: 300.0031 spectrumSize: 131072 baseFrequency: 600.13 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: MF1h spectralWidth: 16.6629780387615 numberOfPoints: 4 relaxationTime: 1.3 acquisitionTime: 0.00014999999999999985 frequencyOffset: 2820.000000042455 originFrequency: 600.13282 pulseStrength90: 38284.83920367534 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 4 date: 2023-10-01T03:14:09.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/10 phc0: -123.1915,-46.63708 phc1: 25.0744,-180 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: 0.000049999999999999955 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: tocsy groupDelay: 67.9862518310547 temperature: 300.0014 spectrumSize: 4096,2048 baseFrequency: 600.13,600.13 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: MFdipsi2 spectralWidth: 16.6629780387615,13.8858150323012 numberOfPoints: 2 relaxationTime: 1.3 acquisitionTime: 0.000049999999999999955 frequencyOffset: 2820.000000042455,2820.000000042455 originFrequency: 600.13282,600.13282 pulseStrength90: 38284.83920367534 experimentNumber: 10 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-09-29T09:15:58.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/2 phc0: -123.1527 phc1: 27.77842 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00004999999999999995 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: null groupDelay: 67.9862518310547 temperature: 299.9968 spectrumSize: 131072 baseFrequency: 600.13 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 32 pulseSequence: MF1h spectralWidth: 16.6629780387615 numberOfPoints: 4 relaxationTime: 20 acquisitionTime: 0.00014999999999999985 frequencyOffset: 2820.000000042455 originFrequency: 600.13282 pulseStrength90: 38284.83920367534 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 4 date: 2023-09-29T09:19:43.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/3 phc0: -21.46297,0 phc1: -7.200001,0 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,true solvent: DMSO dimension: 2 increment: 0.000049999999999999955 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hmqc groupDelay: 67.9862518310547 temperature: 299.9993 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: MFhmqceaf2 spectralWidth: 16.6629780387615,161.615899907689 numberOfPoints: 6 relaxationTime: 1.3 acquisitionTime: 0.0002499999999999998 frequencyOffset: 2820.000000042455,12069.526000004771 originFrequency: 600.13282,150.914878526 pulseStrength90: 38284.83920367534 experimentNumber: 3 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-09-29T09:43:33.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/4 phc0: 40.31067,-178.5629 phc1: 23.11897,0 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: 0.00004999999999999995 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hsqc groupDelay: 67.9862518310547 temperature: 299.9995 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: MFhsqceaf2 spectralWidth: 16.6629780387615,161.615899907689 numberOfPoints: 4 relaxationTime: 1.3 acquisitionTime: 0.00014999999999999985 frequencyOffset: 2820.000000042455,12069.526000004771 originFrequency: 600.13282,150.914878526 pulseStrength90: 38284.83920367534 experimentNumber: 4 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-09-29T11:18:39.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/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: 0.000049999999999999955 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hmbc groupDelay: 67.9862518310547 temperature: 299.9983 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 32 pulseSequence: MFhmbceaf2 spectralWidth: 16.6629780387615,207.066694592838 numberOfPoints: 6 relaxationTime: 1.3 acquisitionTime: 0.0002499999999999998 frequencyOffset: 2820.000000042455,14749.526000002788 originFrequency: 600.13282,150.917558526 pulseStrength90: 38284.83920367534 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2023-09-30T16:50:49.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/6 phc0: 4.062782 phc1: 154 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 0.000014000000000000027 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: null groupDelay: 67.9910888671875 temperature: 300.0018 spectrumSize: 131072 baseFrequency: 150.902809 digitalFilter: 67.9910888671875 fieldStrength: 14.092007892665164 numberOfScans: 12288 pulseSequence: MFhetero1d spectralWidth: 236.647651706503 numberOfPoints: 47 relaxationTime: 2.5 acquisitionTime: 0.0006440000000000012 frequencyOffset: 14749.052000013307 originFrequency: 150.917558052 pulseStrength90: 37037.03703703704 experimentNumber: 6 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-09-30T16:51:42.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/7 phc0: 57.75191,-92.11254 phc1: 23.42428,-180 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: 0.000049999999999999955 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: cosy groupDelay: 67.9862518310547 temperature: 299.9992 spectrumSize: 4096,2048 baseFrequency: 600.13,600.13 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: MFclipcosy spectralWidth: 16.6629780387615,13.8858150323012 numberOfPoints: 2 relaxationTime: 1.3 acquisitionTime: 0.000049999999999999955 frequencyOffset: 2820.000000042455,2820.000000042455 originFrequency: 600.13282,600.13282 pulseStrength90: 38284.83920367534 experimentNumber: 7 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-09-30T20:30:27.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/8 phc0: -21.46297,0 phc1: -7.200001,0 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: 0.000049999999999999955 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hsqc groupDelay: 67.9862518310547 temperature: 300.0012 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: MFhsqceaclipcosyf2 spectralWidth: 16.6629780387615,161.615899907689 numberOfPoints: 2 relaxationTime: 1.3 acquisitionTime: 0.000049999999999999955 frequencyOffset: 2820.000000042455,12069.526000004771 originFrequency: 600.13282,150.914878526 pulseStrength90: 38284.83920367534 experimentNumber: 8 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-09-30T23:49:29.000Z isFt: false name: PCC9009_Schanbacher_ACBderivatives_cmp_4_CB/9 phc0: -21.8962,-175.8239 phc1: -12.34823,0 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: 0.000049999999999999955 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hsqc groupDelay: 67.9862518310547 temperature: 299.9984 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 digitalFilter: 67.9862518310547 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: MFhsqceadipf2 spectralWidth: 16.6629780387615,161.615899907689 numberOfPoints: 2 relaxationTime: 1.3 acquisitionTime: 0.000049999999999999955 frequencyOffset: 2820.000000042455,12069.526000004771 originFrequency: 600.13282,150.914878526 pulseStrength90: 38284.83920367534 experimentNumber: 9 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4