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Cyclohexanecarboxylic acid, 1-(phenylthio)-, methyl ester
SpectraBase Compound ID 9ie66AsV2Ex
InChI InChI=1S/C14H18O2S/c1-16-13(15)14(10-6-3-7-11-14)17-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey DIKGQSDHQWRZHG-UHFFFAOYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiGt9uvDCb
Name Cyclohexanecarboxylic acid, 1-(phenylthio)-, methyl ester
Alternate Name(s) Methyl 1-(phenylsulfanyl)cyclohexanecarboxylate Methyl 1-phenylthiocyclohexanecarboxylate
CAS Registry Number 125334-77-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-16-13(15)14(10-6-3-7-11-14)17-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey DIKGQSDHQWRZHG-UHFFFAOYSA-N
Molecular Weight 250.356 g/mol
SMILES C1(C(=O)OC)(Sc2ccccc2)CCCCC1
SPLASH splash10-03ec-4930000000-b1d33ad37f1dab95681e
Source of Spectrum KC-1989-308-24
Wiley ID 1253229