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Dimethyl ester of (E)-[5-(methylthio)-3-pentenyl]propanedioic acid
SpectraBase Compound ID 7a4PzHWcJqW
InChI InChI=1S/C11H18O4S/c1-14-10(12)9(11(13)15-2)7-5-4-6-8-16-3/h4,6,9H,5,7-8H2,1-3H3/b6-4+
InChIKey OCKLZEHAKDWLSC-GQCTYLIASA-N
Mol Weight 246.32 g/mol
Molecular Formula C11H18O4S
Exact Mass 246.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqGHxb24HQX
Name Dimethyl ester of (E)-[5-(methylthio)-3-pentenyl]propanedioic acid
CAS Registry Number 94518-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4S
InChI InChI=1S/C11H18O4S/c1-14-10(12)9(11(13)15-2)7-5-4-6-8-16-3/h4,6,9H,5,7-8H2,1-3H3/b6-4+
InChIKey OCKLZEHAKDWLSC-GQCTYLIASA-N
Molecular Weight 246.321 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CC\C=C\CSC
SPLASH splash10-0002-2930000000-2c0f2a826c5ecc890ec5
Source of Spectrum C-107-2129-0
Synonyms Dimethyl 2-[(3E)-5-(methylsulfanyl)-3-pentenyl]malonate
Wiley ID 1248543