DOI: 10.57992/nmrxiv.p77.s614
title: BQTML-CB

description: This dataset contains NMR spectra obtained for the sample -BQTML-CB date: 2023-12-13T19:04:39.000Z isFt: true name: BQTML-CB/0 phc0: -94.66 phc1: 0 type: NMR Spectrum DECIM: 584 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 25.229266676075557 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.0012 spectrumSize: 262144 baseFrequency: 150.80725745 fieldStrength: 14.083084843414596 numberOfScans: 4096 pulseSequence: zgzrse spectralWidth: 227.06340008468 numberOfPoints: 10 relaxationTime: 0.1 acquisitionTime: 0.00013139999999999997 frequencyOffset: 16588.79599997931 originFrequency: 150.823846246 pulseStrength90: 20833.333333333332 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-12-13T18:14:24.000Z isFt: true name: BQTML-CB/0 phc0: -82.96 phc1: 0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.205494134841367 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.0005 spectrumSize: 131072 baseFrequency: 599.75 fieldStrength: 14.086085434787059 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 19.8494472135723 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0003779999999999998 frequencyOffset: 2818.1349999840677 originFrequency: 599.752818135 pulseStrength90: 38880.24883359254 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-12-13T19:53:13.000Z isFt: false name: BQTML-CB/0 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 1680 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00004199999999999992 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 298.0003 spectrumSize: 4096,1024 baseFrequency: 599.75,599.75 digitalFilter: 68 fieldStrength: 14.086085434787059 numberOfScans: 3 pulseSequence: cosygpqf spectralWidth: 19.849447213404,19.8494473721996 numberOfPoints: 3 relaxationTime: 1.5 acquisitionTime: 0.00008399999999999985 frequencyOffset: 2818.140085992127,2818.140085992127 originFrequency: 599.752818140086,599.752818140086 pulseStrength90: 38880.24883359254 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2023-12-13T21:57:04.000Z isFt: false name: BQTML-CB/0 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 1680 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.000041999999999999984 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 297.9991 spectrumSize: 8192,1024 baseFrequency: 599.75,150.80725745 digitalFilter: 68 fieldStrength: 14.086085434787059 numberOfScans: 5 pulseSequence: hmbcetgpl3nd spectralWidth: 19.8494472135723,200.000000631206 numberOfPoints: 3 relaxationTime: 1.5 acquisitionTime: 0.00008399999999999997 frequencyOffset: 2818.1349999840677,15077.074000004131 originFrequency: 599.752818135,150.822334524 pulseStrength90: 38880.24883359254 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 date: 2023-12-13T20:33:38.000Z isFt: false name: BQTML-CB/0 phc0: -169.35,0 phc1: 0,0 type: NMR FID DECIM: 1680 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.000041999999999999984 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 297.9988 spectrumSize: 8192,1024 baseFrequency: 599.75,150.80725745 digitalFilter: 68 fieldStrength: 14.086085434787059 numberOfScans: 4 pulseSequence: hsqcetgpsisp2.3 spectralWidth: 19.8494472135723,200.000003938487 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00008399999999999997 frequencyOffset: 2818.1349999840677,12064.579999986336 originFrequency: 599.752818135,150.81932203 pulseStrength90: 38880.24883359254 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4