Dataset

trans-abienol.

This dataset contains NMR spectra obtained for the sample -trans-abienol name: 1 phc0: -85.4743022044 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 499.901660352 spectralWidth: 16.02879355747261 numberOfPoints: 16384 frequencyOffset: 2999.447999968652 originFrequency: 499.9046598 name: 2 phc0: 32.1518864009 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 125.700372476 spectralWidth: 248.60705966457314 numberOfPoints: 32768 frequencyOffset: 13827.024000008238 originFrequency: 125.7141995

Chemical Info

InChI	InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9+/t16?,17-,19-,20+/m0/s1
SMILES	C=C/C(C)=C/C[C@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O
InChI Key	ZAZVCYBIABTSJR-JAKVKNNWSA-N

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p75.s608.d3230
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D3230
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T15:38:48.516863
MetadataModified	2025-02-03T15:38:48.516869
MetadataPublished	2024-06-24 23:01:55
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : cdcl3 acquisition nucleus : 1H NMR spectrum by dimensionality : 1 NMR probe : Temperature : 25 K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : 16.02879355747261 number of data points : 16384 points relaxation time measurement : seconds

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