Cyclopentanecarboxylic acid, 3-oxo-2-[(phenylthio)methyl]-, methyl ester

SpectraBase Compound ID	2ANGae2tXRJ
InChI	InChI=1S/C14H16O3S/c1-17-14(16)11-7-8-13(15)12(11)9-18-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKey	NFPAIFMLVCAQOM-UHFFFAOYSA-N Google Search
Mol Weight	264.34 g/mol
Molecular Formula	C14H16O3S
Exact Mass	264.082016 g/mol

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SpectraBase Spectrum ID	1NeLsaCIfYN
Name	Cyclopentanecarboxylic acid, 3-oxo-2-[(phenylthio)methyl]-, methyl ester
Alternate Name(s)	3-Oxo-2-phenylthiomethyl methyl cyclopentane carboxylate Methyl 3-oxo-2-[(phenylsulfanyl)methyl]cyclopentanecarboxylate
CAS Registry Number	90380-03-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H16O3S
InChI	InChI=1S/C14H16O3S/c1-17-14(16)11-7-8-13(15)12(11)9-18-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKey	NFPAIFMLVCAQOM-UHFFFAOYSA-N
Molecular Weight	264.339 g/mol
SMILES	C1(C(C(=O)OC)CCC1=O)CSc1ccccc1
SPLASH	splash10-0900-9410000000-0e2cfae839989bf60cfb
Source of Spectrum	F-43-322-10
Wiley ID	1267748