Dataset

of_20220728_DT4.noesy

This dataset contains NMR spectra obtained for the sample -of_20220728_DT4 date: 2022-08-01T09:51:03.000Z isFt: false name: of_20220728_DT4/20 phc0: -80.20317 phc1: 3.329678 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.00005000000000000004 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 299.997 spectrumSize: 65536 baseFrequency: 500.13 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 19.9946778845426 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000000017 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 31250 experimentNumber: 20 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-08-01T09:51:03.000Z isFt: true name: of_20220728_DT4/20 phc0: -80.20317 phc1: 3.329678 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 4.99866947113565 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 299.997 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 19.9946778845426 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000000017 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 31250 experimentNumber: 20 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-08-01T21:31:30.000Z isFt: false name: of_20220728_DT4/21 phc0: -75.95488,90 phc1: 0.85,-180 type: NMR FID DECIM: 4000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 0.00010000000000000002 isComplex: true probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 299.9951 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: noesygpph spectralWidth: 9.99735368824196,9.99735368824196 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.0004000000000000001 frequencyOffset: 2350.6119999865405,2350.6119999865405 originFrequency: 500.132350612,500.132350612 pulseStrength90: 31250 experimentNumber: 21 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4

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

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p56.s310.d1807
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1807
Version
Author	Bathe U, Schmidt J, Frolov A, Soboleva A, Frank O, Dawid C, Tissier A.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:34:43.326663
MetadataModified	2024-09-23T09:34:40.295854
MetadataPublished	2024-01-18 15:58:23

Field	Value
Measurement Technique	noesy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT) Temperature : 299.9951 K magnetic field strength : 11.746350827011339 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : noesygpph Spectral Width : [9.99735368824196, 9.99735368824196] number of data points : 5 points relaxation time measurement : 2 seconds

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