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Dimethyl (E)-2-(Benzylthiomethyl)butanedioate
SpectraBase Compound ID 4t0g3S81und
InChI InChI=1S/C14H16O4S/c1-17-13(15)8-12(14(16)18-2)10-19-9-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/b12-8-
InChIKey HUQDNNIZBAJIPI-WQLSENKSSA-N
Mol Weight 280.34 g/mol
Molecular Formula C14H16O4S
Exact Mass 280.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZI5rADEa5o
Name Dimethyl (E)-2-(Benzylthiomethyl)butanedioate
Alternate Name(s) Dimethyl (2E)-2-[(benzylsulfanyl)methyl]-2-butenedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4S
InChI InChI=1S/C14H16O4S/c1-17-13(15)8-12(14(16)18-2)10-19-9-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/b12-8-
InChIKey HUQDNNIZBAJIPI-WQLSENKSSA-N
Molecular Weight 280.338 g/mol
SMILES C(\C=C/(C(=O)OC)CSCc1ccccc1)(=O)OC
SPLASH splash10-0006-9100000000-f741b461357fad4dfd7d
Source of Spectrum F-52-1043-9
Wiley ID 794694