Dataset

3b_Varian.

Chemical Info

InChI	InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1
SMILES	CCCCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1O
InChI Key	MKKDUMSLKJQOTQ-DZGCQCFKSA-N
Molecular Formula	C15H26O2
Exact Mass	254.360 g/mol

Data and Resources

• 3b_Varian.HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p57.s325.d1841
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1841
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	2024-05-15T08:10:22.236361
MetadataModified	2025-02-03T15:12:28.439825
MetadataPublished	2024-01-19 09:20:10
Related Molecule

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

Data-Source Molecule ID	Data-Source
165416622	PubChem
The data in this table is sourced from UniChem at EBI.