Dataset

labda-7,12E,14-triene.

This dataset contains NMR spectra obtained for the sample -labda-7,12E,14-triene name: 1 phc0: 88.1841379015 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 499.695769678 spectralWidth: 16.035397934193835 numberOfPoints: 16384 frequencyOffset: 2998.222000030637 originFrequency: 499.6987679 name: 2 phc0: -21.5771909926 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/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9-10,17-18H,1,8,11-14H2,2-6H3/b15-9+/t17-,18?,20+/m0/s1
SMILES	C=C/C(C)=C/C[C@H]1C(C)=CCC2C(C)(C)CCC[C@@]21C
InChI Key	AAWKCAAKYFTATH-STJFUXCQSA-N

Data and Resources

labda-7,12E,14-triene.HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p75.s611.d3236
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D3236
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T15:38:29.438378
MetadataModified	2025-02-03T15:38:29.438384
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 : 16.035397934193835 number of data points : 16384 points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
60004200	NMRShiftDB
15666996	PubChem: Thomson Pharma
5318908	PubChem
The data in this table is sourced from UniChem at EBI.