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Propanedioic acid, [2-methyl-3-(phenylthio)-2-propenyl]-, dimethyl ester, (Z)-
SpectraBase Compound ID 1O59AtoabPk
InChI InChI=1S/C15H18O4S/c1-11(10-20-12-7-5-4-6-8-12)9-13(14(16)18-2)15(17)19-3/h4-8,10,13H,9H2,1-3H3/b11-10-
InChIKey GQBPDMCCSYXGFJ-KHPPLWFESA-N
Mol Weight 294.37 g/mol
Molecular Formula C15H18O4S
Exact Mass 294.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ptsFQzG2g3
Name Propanedioic acid, [2-methyl-3-(phenylthio)-2-propenyl]-, dimethyl ester, (Z)-
CAS Registry Number 117561-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4S
InChI InChI=1S/C15H18O4S/c1-11(10-20-12-7-5-4-6-8-12)9-13(14(16)18-2)15(17)19-3/h4-8,10,13H,9H2,1-3H3/b11-10-
InChIKey GQBPDMCCSYXGFJ-KHPPLWFESA-N
Molecular Weight 294.365 g/mol
SMILES C(C(=O)OC)(C(=O)OC)C\C(=C/Sc1ccccc1)C
SPLASH splash10-01rf-0950000000-82b2ba030143d3c543e6
Source of Spectrum KC-1989-1636-17
Synonyms (Z)-1-Phenylthio-2-methyl-4,4-bis(methoxycarbonyl)-1-butene Dimethyl 2-[(2Z)-2-methyl-3-(phenylsulfanyl)-2-propenyl]malonate
Wiley ID 1296941