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Cyclohexenepropanoic acid, .alpha.-(phenylthio)-, methyl ester
SpectraBase Compound ID qBSIbXldh2
InChI InChI=1S/C16H20O2S/c1-18-16(17)15(12-13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h3,6-8,10-11,15H,2,4-5,9,12H2,1H3
InChIKey LSQSOPVZNRMHPC-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTrIsUOY1ho
Name Cyclohexenepropanoic acid, .alpha.-(phenylthio)-, methyl ester
Alternate Name(s) Methyl 3-(1-cyclohexen-1-yl)-2-(phenylsulfanyl)propanoate 3-(1-cyclohexenyl)-2-(phenylthio)propanoic acid methyl ester 3-(cyclohexen-1-yl)-2-(phenylthio)propionic acid methyl ester Methyl 3-(cyclohexen-1-yl)-2-phenylsulfanyl-propanoate
CAS Registry Number 74367-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-18-16(17)15(12-13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h3,6-8,10-11,15H,2,4-5,9,12H2,1H3
InChIKey LSQSOPVZNRMHPC-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES COC(C(CC=1CCCCC1)Sc1ccccc1)=O
SPLASH splash10-00gm-9600000000-1fbd893a0f644da3165b
Source of Spectrum C-100-3431-0
Wiley ID 1280097