Dataset

neo-cleroda-4(18),13E-diene-15-ol.

This dataset contains NMR spectra obtained for the sample -neo-cleroda-4(18),13E-diene-15-ol name: 1 phc0: -25.9965672111 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: 44.8117907206 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 125.648601225 spectralWidth: 248.70949374152096 numberOfPoints: 32768 frequencyOffset: 13821.375000006243 originFrequency: 125.6624226

Chemical Info

InChI	InChI=1S/C20H34O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18-,19+,20+/m1/s1
SMILES	C=C1CCC[C@@H]2[C@@](C)(CC/C(C)=C/CO)[C@H](C)CC[C@@]12C
InChI Key	YMTCQCWFYXOJRY-UUMJGGROSA-N

Data and Resources

neo-cleroda-4(18),13E-diene-15-ol.HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p75.s606.d3226
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D3226
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T15:39:22.844644
MetadataModified	2025-02-03T15:39:22.844650
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
162888209	PubChem
60004203	NMRShiftDB
ZINC000013401838	ZINC
The data in this table is sourced from UniChem at EBI.