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Cyclopentaneacetic acid, .alpha.-(phenylthio)-, methyl ester
SpectraBase Compound ID KsBs3i8xdUy
InChI InChI=1S/C14H18O2S/c1-16-14(15)13(11-7-5-6-8-11)17-12-9-3-2-4-10-12/h2-4,9-11,13H,5-8H2,1H3
InChIKey LCJIPGHDHGHADQ-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 55p0ZuOlTTC
Name Cyclopentaneacetic acid, .alpha.-(phenylthio)-, methyl ester
Alternate Name(s) Methyl 2-cyclopentyl-2-phenylthiopentanoate Methyl cyclopentyl(phenylsulfanyl)acetate
CAS Registry Number 86895-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-16-14(15)13(11-7-5-6-8-11)17-12-9-3-2-4-10-12/h2-4,9-11,13H,5-8H2,1H3
InChIKey LCJIPGHDHGHADQ-UHFFFAOYSA-N
Molecular Weight 250.356 g/mol
SMILES C(C(=O)OC)(Sc1ccccc1)C1CCCC1
SPLASH splash10-0ff3-4930000000-a34c173d109e96f39b9d
Source of Spectrum KC-1986-1941-5
Wiley ID 1253226