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(1S)-1-[(Ethoxycarbonyl)methyl]-2-(methylthio)cyclohex-2-en-1-ol
SpectraBase Compound ID HtvJkUhPdB3
InChI InChI=1S/C11H18O3S/c1-3-14-10(12)8-11(13)7-5-4-6-9(11)15-2/h6,13H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKey VIRZKOBKKKJKQR-NSHDSACASA-N
Mol Weight 230.32 g/mol
Molecular Formula C11H18O3S
Exact Mass 230.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TZkMorKEyc
Name (1S)-1-[(Ethoxycarbonyl)methyl]-2-(methylthio)cyclohex-2-en-1-ol
Alternate Name(s) Ethyl[(1S)-1-hydroxy-2-(methylsulfanyl)-2-cyclohexen-1-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3S
InChI InChI=1S/C11H18O3S/c1-3-14-10(12)8-11(13)7-5-4-6-9(11)15-2/h6,13H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKey VIRZKOBKKKJKQR-NSHDSACASA-N
Molecular Weight 230.322 g/mol
SMILES O[C@@]1(CC(=O)OCC)C(=CCCC1)SC
SPLASH splash10-0006-9770000000-058072eb80d933af71af
Source of Spectrum QC-9-3451-13
Wiley ID 870767