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(E)Methyl 3-(Phenylthio)-4-(methoxycarbonyl)but-2-enoate
SpectraBase Compound ID 9rLtav57NU4
InChI InChI=1S/C13H14O4S/c1-16-12(14)8-11(9-13(15)17-2)18-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+
InChIKey JWOPMCZHYGYOFX-DHZHZOJOSA-N
Mol Weight 266.31 g/mol
Molecular Formula C13H14O4S
Exact Mass 266.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QU4O4TsbYw
Name (E)Methyl 3-(Phenylthio)-4-(methoxycarbonyl)but-2-enoate
Alternate Name(s) Dimethyl (2E)-3-(phenylsulfanyl)-2-pentenedioate
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Formula C13H14O4S
InChI InChI=1S/C13H14O4S/c1-16-12(14)8-11(9-13(15)17-2)18-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+
InChIKey JWOPMCZHYGYOFX-DHZHZOJOSA-N
Molecular Weight 266.311 g/mol
SMILES C(\C(=C/C(=O)OC)Sc1ccccc1)C(=O)OC
SPLASH splash10-07dt-3960000000-b24aa64231fb5337160c
Source of Spectrum J-58-6515-5
Wiley ID 1269666