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(+/-)-(3Z)-3-Hexenyl cis-2-hydroxycyclohexanecarboxylate
SpectraBase Compound ID DN1aOdfy4H8
InChI InChI=1S/C13H22O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-4,11-12,14H,2,5-10H2,1H3/b4-3-/t11-,12+/m1/s1
InChIKey OPFOAHONWWAQLC-BKGLOODYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfG5gjzCYsq
Name (+/-)-(3Z)-3-Hexenyl cis-2-hydroxycyclohexanecarboxylate
Classification Cyclohexanols
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-4,11-12,14H,2,5-10H2,1H3/b4-3-/t11-,12+/m1/s1
InChIKey OPFOAHONWWAQLC-BKGLOODYSA-N
Molecular Weight 226.316 g/mol
Number of Peaks 14
SMILES O[C@@]1([C@@](CCCC1)(C(=O)OCC\C=C/CC)[H])[H]
SPLASH splash10-001i-9100000000-0c1fcee1ac69f8dca95a
Source of Spectrum FF-29-80-25 (DOI: 10.1002/ffj.3182)
Synonyms (1R,2S)-(Z)-hex-3-en-1-yl 2-hydroxycyclohexanecarboxylate
Wiley ID 1775665