Dataset

10b_JCAMP.

Chemical Info

molecular Image

InChI	InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-10-14-13(16)11-12-15(17)18-14/h11-12,14-15,17H,2-10H2,1H3
SMILES	[CH:1]1=[CH:2][CH:3]([OH:8])[O:4][CH:5]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[C:6]1=[O:7]
InChI Key	ZWUNUXNXAVPNGF-UHFFFAOYSA-N
Molecular Formula	C15H26O3
Exact Mass	254.360 g/mol

Data and Resources

10b_JCAMP.HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p57.s324.d1840
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1840
Version
Author	Toni Ditfe, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann
Maintainer
Language	english
MetadataCreated	2024-05-15T08:46:26.058504
MetadataModified	2025-02-03T15:59:49.266323
MetadataPublished	2024-01-19 09:20:10
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : cdcl3 acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : s2pul Spectral Width : number of data points : 65536 points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
14641215	PubChem
103910026	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.