Dataset

VS-20220603-Diterpen4.hsqc

This dataset contains NMR spectra obtained for the sample -VS-20220603-Diterpen4 date: 2022-06-03T21:25:53.000Z isFt: false name: VS-20220603-Diterpen4/10 phc0: -76.03622 phc1: 1.020518 type: NMR FID DECIM: 2440 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.000061000000000000175 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: proton groupDelay: 76 temperature: 300.1524 spectrumSize: 65536 baseFrequency: 600.36 digitalFilter: 76 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 13.6529284619938 numberOfPoints: 14 relaxationTime: 2 acquisitionTime: 0.0007930000000000023 frequencyOffset: 3602.1600000140097 originFrequency: 600.36360216 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-03T21:25:53.000Z isFt: true name: VS-20220603-Diterpen4/10 phc0: -76.03622 phc1: 1.020518 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 1.0502252663072154 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: proton groupDelay: 76 temperature: 300.1524 spectrumSize: 65536 baseFrequency: 600.36 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 13.6529284619938 numberOfPoints: 14 relaxationTime: 2 acquisitionTime: 0.0007930000000000023 frequencyOffset: 3602.1600000140097 originFrequency: 600.36360216 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-03T23:30:03.000Z isFt: false name: VS-20220603-Diterpen4/11 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 2440 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: 0.00006100000000000017 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 300.1502 spectrumSize: 2048,2048 baseFrequency: 600.36,600.36 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 16 pulseSequence: cosygpmfppqf spectralWidth: 13.6529284619938,14.0000611251376 numberOfPoints: 6 relaxationTime: 1.5 acquisitionTime: 0.00030500000000000085 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: 2022-06-04T07:09:18.000Z isFt: false name: VS-20220603-Diterpen4/12 phc0: -256.7855,5.34799 phc1: 1.05196,0 type: NMR FID DECIM: 2440 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 0.000061000000000000175 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 300.1486 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 32 pulseSequence: hsqcedetgpsp.3 spectralWidth: 13.6529284619938,219.961172186009 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.0004880000000000014 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: 2022-06-04T07:09:18.000Z isFt: true name: VS-20220603-Diterpen4/12 phc0: -256.7855,5.34799 phc1: 1.05196,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.9 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 1.706616057749225 isComplex: false probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 300.1486 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 fieldStrength: 14.100412257822022 numberOfScans: 32 pulseSequence: hsqcedetgpsp.3 spectralWidth: 13.6529284619938,219.961172186009 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.0004880000000000014 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: 2022-06-04T15:30:31.000Z isFt: false name: VS-20220603-Diterpen4/13 phc0: 186.3401,-175.7694 phc1: -180.0141,0 type: NMR FID DECIM: 2440 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: 0.000061000000000000175 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 300.1522 spectrumSize: 2048,2048 baseFrequency: 600.36,150.960642072 digitalFilter: 68 fieldStrength: 14.100412257822022 numberOfScans: 32 pulseSequence: hmbcetgpl3nd spectralWidth: 13.6529284619938,219.961172186009 numberOfPoints: 9 relaxationTime: 1.5 acquisitionTime: 0.0004880000000000014 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: 2022-06-04T22:29:29.000Z isFt: false name: VS-20220603-Diterpen4/14 phc0: -71.73145 phc1: 25.92095 type: NMR FID DECIM: 612 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 0.00001530000000000003 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1492 spectrumSize: 65536 baseFrequency: 150.960642072 digitalFilter: 76 fieldStrength: 14.097408614576718 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 216.456888805594 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0001530000000000003 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 14 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-04T22:29:29.000Z isFt: true name: VS-20220603-Diterpen4/14 phc0: -71.73145 phc1: 25.92095 type: NMR Spectrum DECIM: 612 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 21.645688880559398 isComplex: true probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT) experiment: c13 groupDelay: 76 temperature: 300.1492 spectrumSize: 65536 baseFrequency: 150.960642072 fieldStrength: 14.097408614576718 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 216.456888805594 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0001530000000000003 frequencyOffset: 15096.064207000381 originFrequency: 150.975738136207 pulseStrength90: 20833.333333333332 experimentNumber: 14 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Info

InChI	InChI=1S/C20H32O/c1-7-14(2)9-10-16-15(3)13-17(21)18-19(4,5)11-8-12-20(16,18)6/h7,9,16-18,21H,1,3,8,10-13H2,2,4-6H3
SMILES	C=CC(C)=CCC1C(=C)CC(O)C2C(C)(C)CCCC12C
InChI Key	BTZUXQVFYYTGIH-UHFFFAOYSA-N

Data and Resources

VS-20220603-Diterpen4.hsqcHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p56.s307.d1790
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1790
Version
Author	Bathe U, Schmidt J, Frolov A, Soboleva A, Frank O, Dawid C, Tissier A.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:06:38.890306
MetadataModified	2024-05-15T08:24:15.757402
MetadataPublished	2024-01-18 15:58:23

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : MeOD 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 : 300.1486 K irradiation frequency : 600.36 MHz , 150.960642072 MHz magnetic field strength : 14.100412257822022 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsp.3 Spectral Width : 13.6529284619938 , 219.961172186009 number of data points : 9 points relaxation time measurement : 2 seconds