Dataset

10c_JCAMP.

Chemical Info

InChI	InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-15(18)13-14-17(19)20-16/h13-14,16-17,19H,2-12H2,1H3
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][CH2:18][CH2:19][CH3:20])[C:6]1=[O:7]
InChI Key	HRRYGSPDIDDOQX-UHFFFAOYSA-N
Molecular Formula	C17H30O3
Exact Mass	282.400 g/mol

Data and Resources

• 10c_JCAMP.HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p57.s318.d1834
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1834
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	2024-05-15T08:08:34.633414
MetadataModified	2025-02-03T15:10:43.936558
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
103910028	PubChem: Thomson Pharma
49835072	PubChem
The data in this table is sourced from UniChem at EBI.