Dataset

of_20220728_DT5.1d

This dataset contains NMR spectra obtained for the sample -of_20220728_DT5 date: 2022-07-28T08:02:37.000Z isFt: false name: of_20220728_DT5/10 phc0: -73.81461 phc1: 4.146943 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: 300.0056 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: 10 acquisitionScheme: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-07-29T20:13:13.000Z isFt: false name: of_20220728_DT5/20 phc0: -68.53125,90 phc1: 0,-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: 299.999 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: noesygpph spectralWidth: 9.99735368824196,9.99735368824196 numberOfPoints: 2 relaxationTime: 2 acquisitionTime: 0.00010000000000000002 frequencyOffset: 2350.6119999865405,2350.6119999865405 originFrequency: 500.132350612,500.132350612 pulseStrength90: 31250 experimentNumber: 20 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4

Chemical Info

molecular Image
InChI InChI=1S/C20H32O/c1-7-14(2)9-10-16-15(3)17(21)13-18-19(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)C(O)CC2C(C)(C)CCCC12C
InChI Key UITXFWAOWQMNFN-UHFFFAOYSA-N
Molecular Formula C20H32O
Exact Mass 288.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p56.s313.d1811
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1811
Version
Author Bathe U, Schmidt J, Frolov A, Soboleva A, Frank O, Dawid C, Tissier A.
Maintainer
Language english
MetadataCreated 2024-04-22T16:24:41.977576
MetadataModified 2025-02-03T15:57:15.005140
MetadataPublished 2024-01-18 15:58:23
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : MeOD

acquisition nucleus : 1H

NMR spectrum by dimensionality : 1

NMR probe : Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT)

Temperature : 300.0056 K

magnetic field strength : 11.746350827011339 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : zg30

Spectral Width : 19.9946778845426

number of data points : 5 points

relaxation time measurement : 1 seconds

Data-Source Molecule ID Data-Source
163095283 PubChem
The data in this table is sourced from UniChem at EBI.