Dataset

20221019-VS-CrudeYeastExtract-Peak1.hmbc

This dataset contains NMR spectra obtained for the sample -20221019-VS-CrudeYeastExtract-Peak1 date: 2022-10-19T13:21:59.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/10 phc0: 225.9359 phc1: 5.842016 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.00006999999999999983 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: proton groupDelay: 76 temperature: 300.1497 spectrumSize: 65536 baseFrequency: 600.36 digitalFilter: 76 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 11.8975519454518 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.0005599999999999986 frequencyOffset: 3602.1600000140097 originFrequency: 600.36360216 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-19T13:21:59.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/10 phc0: 225.9359 phc1: 5.842016 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 1.487193993181475 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: proton groupDelay: 76 temperature: 300.1497 spectrumSize: 65536 baseFrequency: 600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 11.8975519454518 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.0005599999999999986 frequencyOffset: 3602.1600000140097 originFrequency: 600.36360216 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-19T15:28:37.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/11 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.00006999999999999984 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.1486 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 11.8975519454518,12.0004126250954 numberOfPoints: 8 relaxationTime: 1.5 acquisitionTime: 0.0004899999999999989 frequencyOffset: 3602.1600000140097,3602.1600000140097 originFrequency: 600.36360216,600.36360216 pulseStrength90: 31250 experimentNumber: 11 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2022-10-19T15:28:37.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/11 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 1.6996502779216858 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.1486 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 11.8975519454518,12.0004126250954 numberOfPoints: 8 relaxationTime: 1.5 acquisitionTime: 0.0004899999999999989 frequencyOffset: 3602.1600000140097,3602.1600000140097 originFrequency: 600.36360216,600.36360216 pulseStrength90: 31250 experimentNumber: 11 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2022-10-19T21:16:32.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/12 phc0: 462.4595,4.866768 phc1: -7.01102,0 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 0.00006999999999999983 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 300.1531 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 24 pulseSequence: hsqcedetgpsp.3 spectralWidth: 11.8975519454518,210.02237962588 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0006999999999999984 frequencyOffset: 3602.1600000140097,15096.064207000381 originFrequency: 600.36360216,150.975738136207 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-10-19T21:16:32.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/12 phc0: 462.4595,4.866768 phc1: -7.01102,0 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 1.18975519454518 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 300.1531 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 fieldStrength: 14.100412257822022 numberOfScans: 24 pulseSequence: hsqcedetgpsp.3 spectralWidth: 11.8975519454518,210.02237962588 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0006999999999999984 frequencyOffset: 3602.1600000140097,15096.064207000381 originFrequency: 600.36360216,150.975738136207 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-10-20T05:47:24.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/13 phc0: -101.3347,4.592987 phc1: 109.5843,0 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 0.00006999999999999983 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 300.1509 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 32 pulseSequence: hmbcetgpl3nd spectralWidth: 11.8975519454518,210.02237962588 numberOfPoints: 11 relaxationTime: 1.5 acquisitionTime: 0.0006999999999999984 frequencyOffset: 3602.1600000140097,15096.064207000381 originFrequency: 600.36360216,150.975738136207 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2022-10-20T05:47:24.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/13 phc0: -101.3347,4.592987 phc1: 109.5843,0 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 1.18975519454518 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 300.1509 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 fieldStrength: 14.100412257822022 numberOfScans: 32 pulseSequence: hmbcetgpl3nd spectralWidth: 11.8975519454518,210.02237962588 numberOfPoints: 11 relaxationTime: 1.5 acquisitionTime: 0.0006999999999999984 frequencyOffset: 3602.1600000140097,15096.064207000381 originFrequency: 600.36360216,150.975738136207 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2022-10-22T18:38:52.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/14 phc0: -76.83507 phc1: 36.83434 type: NMR FID DECIM: 640 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 0.000015999999999999972 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1515 spectrumSize: 65536 baseFrequency: 150.960642072 digitalFilter: 76 fieldStrength: 14.097408614576718 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 206.98689992035 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00014399999999999976 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 14 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-22T18:38:52.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/14 phc0: -76.83507 phc1: 36.83434 type: NMR Spectrum DECIM: 640 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 22.998544435594443 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1515 spectrumSize: 65536 baseFrequency: 150.960642072 fieldStrength: 14.097408614576718 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 206.98689992035 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00014399999999999976 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 14 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-20T09:05:55.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/15 phc0: 107.1033 phc1: -323.925 type: NMR FID DECIM: 612 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 0.00001530000000000003 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: dept groupDelay: 68 temperature: 300.1487 spectrumSize: 32768 baseFrequency: 150.960642072 digitalFilter: 68 fieldStrength: 14.097408614576718 numberOfScans: 305 pulseSequence: deptsp135 spectralWidth: 216.456888805594 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00018360000000000037 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 15 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-20T09:05:55.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/15 phc0: 107.1033 phc1: -323.925 type: NMR Spectrum DECIM: 612 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 18.038074067132833 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: dept groupDelay: 68 temperature: 300.1487 spectrumSize: 32768 baseFrequency: 150.960642072 fieldStrength: 14.097408614576718 numberOfScans: 305 pulseSequence: deptsp135 spectralWidth: 216.456888805594 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00018360000000000037 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 15 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-25T11:13:00.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/20 phc0: -80.55254 phc1: 10.66225 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00006999999999999983 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 300.1513 spectrumSize: 65536 baseFrequency: 600.36 digitalFilter: 76 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 11.8975519454518 numberOfPoints: 48 relaxationTime: 2 acquisitionTime: 0.003289999999999992 frequencyOffset: 3602.1600000140097 originFrequency: 600.36360216 pulseStrength90: 31250 experimentNumber: 20 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-25T11:13:00.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/20 phc0: -80.55254 phc1: 10.66225 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.25313940309471916 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 300.1513 spectrumSize: 65536 baseFrequency: 600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 11.8975519454518 numberOfPoints: 48 relaxationTime: 2 acquisitionTime: 0.003289999999999992 frequencyOffset: 3602.1600000140097 originFrequency: 600.36360216 pulseStrength90: 31250 experimentNumber: 20 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-26T13:20:49.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/21 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00006999999999999984 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.1518 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 11.8975519454518,12.0004126250954 numberOfPoints: 8 relaxationTime: 1.5 acquisitionTime: 0.0004899999999999989 frequencyOffset: 3602.1600000140097,3602.1600000140097 originFrequency: 600.36360216,600.36360216 pulseStrength90: 31250 experimentNumber: 21 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2022-10-26T13:20:49.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/21 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.6996502779216858 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.1518 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 11.8975519454518,12.0004126250954 numberOfPoints: 8 relaxationTime: 1.5 acquisitionTime: 0.0004899999999999989 frequencyOffset: 3602.1600000140097,3602.1600000140097 originFrequency: 600.36360216,600.36360216 pulseStrength90: 31250 experimentNumber: 21 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2022-10-26T00:13:10.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/22 phc0: 104.3873,6.094124 phc1: -3.14614,0 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.9914626621209833 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 300.1482 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 fieldStrength: 14.100412257822022 numberOfScans: 24 pulseSequence: hsqcedetgpsp.3 spectralWidth: 11.8975519454518,219.961172186009 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.0008399999999999981 frequencyOffset: 3602.1600000140097,15096.064207000381 originFrequency: 600.36360216,150.975738136207 pulseStrength90: 31250 experimentNumber: 22 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-10-27T02:17:40.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/23 phc0: 291.6767,181.2924 phc1: -32.69749,0 type: NMR FID DECIM: 2800 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00006999999999999983 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 300.1476 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 48 pulseSequence: hmbcetgpl3nd spectralWidth: 11.8975519454518,210.02237962588 numberOfPoints: 11 relaxationTime: 1.5 acquisitionTime: 0.0006999999999999984 frequencyOffset: 3602.1600000140097,15096.064207000381 originFrequency: 600.36360216,150.975738136207 pulseStrength90: 31250 experimentNumber: 23 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2022-10-27T02:17:40.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/23 phc0: 291.6767,181.2924 phc1: -32.69749,0 type: NMR Spectrum DECIM: 2800 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.18975519454518 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 300.1476 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 fieldStrength: 14.100412257822022 numberOfScans: 48 pulseSequence: hmbcetgpl3nd spectralWidth: 11.8975519454518,210.02237962588 numberOfPoints: 11 relaxationTime: 1.5 acquisitionTime: 0.0006999999999999984 frequencyOffset: 3602.1600000140097,15096.064207000381 originFrequency: 600.36360216,150.975738136207 pulseStrength90: 31250 experimentNumber: 23 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2022-10-25T18:25:22.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/24 phc0: -82.20004 phc1: 57.20289 type: NMR FID DECIM: 640 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000015999999999999976 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1488 spectrumSize: 65536 baseFrequency: 150.960642072 digitalFilter: 76 fieldStrength: 14.097408614576718 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 206.98689992035 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.00015999999999999974 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 24 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-25T18:25:22.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/24 phc0: -82.20004 phc1: 57.20289 type: NMR Spectrum DECIM: 640 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 20.698689992035 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1488 spectrumSize: 65536 baseFrequency: 150.960642072 fieldStrength: 14.097408614576718 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 206.98689992035 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.00015999999999999974 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 24 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-26T10:42:48.000Z isFt: false name: 20221019-VS-CrudeYeastExtract-Peak1/25 phc0: -305.2275 phc1: -216.8223 type: NMR FID DECIM: 612 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.00001530000000000003 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: dept groupDelay: 68 temperature: 300.1508 spectrumSize: 32768 baseFrequency: 150.960642072 digitalFilter: 68 fieldStrength: 14.097408614576718 numberOfScans: 2000 pulseSequence: deptsp135 spectralWidth: 216.456888805594 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00013770000000000026 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 25 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-10-26T10:42:48.000Z isFt: true name: 20221019-VS-CrudeYeastExtract-Peak1/25 phc0: -305.2275 phc1: -216.8223 type: NMR Spectrum DECIM: 612 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 24.050765422843778 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: dept groupDelay: 68 temperature: 300.1508 spectrumSize: 32768 baseFrequency: 150.960642072 fieldStrength: 14.097408614576718 numberOfScans: 2000 pulseSequence: deptsp135 spectralWidth: 216.456888805594 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00013770000000000026 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 25 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Info

molecular Image
InChI InChI=1S/C20H32O4/c1-5-17(2)10-7-14-18(3)8-6-9-19(4,16(22)23)15(18)13(21)11-20(14,24)12-17/h5,13-15,21,24H,1,6-12H2,2-4H3,(H,22,23)
SMILES C=CC1(C)CCC2C(O)(CC(O)C3C(C)(C(=O)O)CCCC23C)C1
InChI Key RWNLMWOOQQHJJW-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p56.s297.d1728
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1728
Version
Author Bathe U, Schmidt J, Frolov A, Soboleva A, Frank O, Dawid C, Tissier A.
Maintainer
Language english
MetadataCreated 2024-04-22T16:50:05.954637
MetadataModified 2025-02-03T16:27:24.245908
MetadataPublished 2024-01-18 15:58:23
Related Molecule
  • nfdi4chem-mol7804 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : 1H , 13C

    NMR spectrum by dimensionality : 2

    NMR probe : Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)

    Temperature : 300.1476 K

    irradiation frequency : 600.36 MHz , 150.960642072 MHz

    magnetic field strength : 14.100412257822022 Tesla

    number of scans : 48 scans

    nuclear magnetic resonance pulse sequence : hmbcetgpl3nd

    Spectral Width : 11.8975519454518 , 210.02237962588

    number of data points : 11 points

    relaxation time measurement : 1.5 seconds

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