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Butanedioic acid, [1-(methylthio)propylidene]propylidene-, dimethyl ester
SpectraBase Compound ID JMrBc2hjcPJ
InChI InChI=1S/C13H20O4S/c1-6-8-9(12(14)16-3)11(13(15)17-4)10(7-2)18-5/h8H,6-7H2,1-5H3/b9-8-,11-10-
InChIKey QPAAUMUHWLDYAH-XESWYYRISA-N
Mol Weight 272.36 g/mol
Molecular Formula C13H20O4S
Exact Mass 272.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4UcBombH54
Name Butanedioic acid, [1-(methylthio)propylidene]propylidene-, dimethyl ester
CAS Registry Number 98610-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4S
InChI InChI=1S/C13H20O4S/c1-6-8-9(12(14)16-3)11(13(15)17-4)10(7-2)18-5/h8H,6-7H2,1-5H3/b9-8-,11-10-
InChIKey QPAAUMUHWLDYAH-XESWYYRISA-N
Molecular Weight 272.359 g/mol
SMILES C(\C(\C(C(=O)OC)=C/(SC)CC)=C\CC)(=O)OC
SPLASH splash10-0a6r-5980000000-94cedc2d4b7a63edaaa0
Source of Spectrum KC-1985-1164-17
Synonyms 3-Methylthio-4,5-bismethoxycarbonylocta-3,5-diene Dimethyl (2Z,3Z)-2-[1-(methylsulfanyl)propylidene]-3-propylidenebutanedioate
Wiley ID 1275868