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2-Methyl-2-(phenylthio)-3-butenoic acid ethyl ester
SpectraBase Compound ID 2lSxvb2SXpC
InChI InChI=1S/C13H16O2S/c1-4-13(3,12(14)15-5-2)16-11-9-7-6-8-10-11/h4,6-10H,1,5H2,2-3H3
InChIKey ODRCIKCLEMDCPG-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 AFM3aQid3w1
Name 2-Methyl-2-(phenylthio)-3-butenoic acid ethyl ester
Alternate Name(s) 2-Methyl-2-(phenylthio)but-3-enoic acid ethyl ester Ethyl 2-methyl-2-(phenylsulfanyl)-3-butenoate Ethyl 2-methyl-2-phenylsulfanyl-but-3-enoate
CAS Registry Number 73311-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-4-13(3,12(14)15-5-2)16-11-9-7-6-8-10-11/h4,6-10H,1,5H2,2-3H3
InChIKey ODRCIKCLEMDCPG-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES C(C(=O)OCC)(Sc1ccccc1)(C=C)C
SPLASH splash10-08g0-0930000000-462d808b3cb58be8b1d1
Source of Spectrum KC-1986-1952-16
Wiley ID 1237980