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Cyclopentanecarboxylic acid, 1-(phenylthio)-, methyl ester
SpectraBase Compound ID KEiXfGtRhlA
InChI InChI=1S/C13H16O2S/c1-15-12(14)13(9-5-6-10-13)16-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey RVUVDWYGKNNPIA-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2vfXBmox2O
Name Cyclopentanecarboxylic acid, 1-(phenylthio)-, methyl ester
Alternate Name(s) 1-(Phenylthio)-1-cyclopentanecarboxylic acid methyl ester Methyl 1-phenylsulfanylcyclopentanecarboxylate Methyl 1-phenylsulfanylcyclopentane-1-carboxylate
CAS Registry Number 61829-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-15-12(14)13(9-5-6-10-13)16-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey RVUVDWYGKNNPIA-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES C1(C(=O)OC)(Sc2ccccc2)CCCC1
SPLASH splash10-0400-2940000000-902750c5a8b30c49d34f
Source of Spectrum KC-1977-20-2281
Wiley ID 1237960