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(1S,2S)-1-but-3-enyl-2-hydroxy-1-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID F5V8NLn7HR2
InChI InChI=1S/C13H22O3/c1-3-5-9-13(12(15)16-4-2)10-7-6-8-11(13)14/h3,11,14H,1,4-10H2,2H3/t11-,13+/m0/s1
InChIKey JSTSIRVMSUMESX-WCQYABFASA-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 46fAmsTIS9w
Name (1S,2S)-1-but-3-enyl-2-hydroxy-1-cyclohexanecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-5-9-13(12(15)16-4-2)10-7-6-8-11(13)14/h3,11,14H,1,4-10H2,2H3/t11-,13+/m0/s1
InChIKey JSTSIRVMSUMESX-WCQYABFASA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1([C@@](C(=O)OCC)(CCC=C)CCCC1)[H]
SPLASH splash10-000i-5900000000-1504a2529bface266c26
Source of Spectrum F-48-8672-5
Synonyms (1S,2S)-1-But-3-enyl-2-hydroxy-cyclohexanecarboxylic acid ethyl ester Ethyl (1S,2S)-1-but-3-enyl-2-hydroxycyclohexane-1-carboxylate Ethyl (1S,2S)-1-but-3-enyl-2-hydroxy-cyclohexanecarboxylate Ethyl (1S,2S)-1-but-3-enyl-2-oxidanyl-cyclohexane-1-carboxylate
Wiley ID 1227667