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2-(Phenylthio)enanthic acid methyl ester
SpectraBase Compound ID Av2Js620hCW
InChI InChI=1S/C14H20O2S/c1-3-4-6-11-13(14(15)16-2)17-12-9-7-5-8-10-12/h5,7-10,13H,3-4,6,11H2,1-2H3
InChIKey FAWPMPYHCRZYGX-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVImuetFshK
Name 2-(Phenylthio)enanthic acid methyl ester
CAS Registry Number 74143-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-3-4-6-11-13(14(15)16-2)17-12-9-7-5-8-10-12/h5,7-10,13H,3-4,6,11H2,1-2H3
InChIKey FAWPMPYHCRZYGX-UHFFFAOYSA-N
Molecular Weight 252.372 g/mol
SMILES C(C(Sc1ccccc1)CCCCC)(=O)OC
SPLASH splash10-0f6x-0940000000-4dc85b97e4578d842985
Source of Spectrum J-45-3552-0
Synonyms 2-(Phenylthio)heptanoic acid methyl ester Methyl 2-(phenylsulfanyl)heptanoate
Wiley ID 1255494