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3-Phenyl-2-(phenylthio)propanoic acid ethyl ester
SpectraBase Compound ID 1bxYAGYR8tc
InChI InChI=1S/C17H18O2S/c1-2-19-17(18)16(13-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKey ZEHMOEIYIKKMDI-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C17H18O2S
Exact Mass 286.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IpWGDPhNFh
Name 3-Phenyl-2-(phenylthio)propanoic acid ethyl ester
Alternate Name(s) 3-Phenyl-2-(phenylthio)propionic acid ethyl ester Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate Ethyl 3-phenyl-2-phenylsulfanylpropanoate
CAS Registry Number 54532-94-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2S
InChI InChI=1S/C17H18O2S/c1-2-19-17(18)16(13-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKey ZEHMOEIYIKKMDI-UHFFFAOYSA-N
Molecular Weight 286.389 g/mol
SMILES C(=O)(C(Cc1ccccc1)Sc1ccccc1)OCC
SPLASH splash10-002s-1910000000-82c58f08e3b7bfb8c379
Source of Spectrum F-70-4194-8
Wiley ID 1597005