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Butanedioic acid, methylene[(methylthio)methylene]-, dimethyl ester, (E)-
SpectraBase Compound ID H28vAoKUZaC
InChI InChI=1S/C9H12O4S/c1-6(8(10)12-2)7(5-14-4)9(11)13-3/h5H,1H2,2-4H3/b7-5-
InChIKey WATGOVPABMTWKG-ALCCZGGFSA-N
Mol Weight 216.25 g/mol
Molecular Formula C9H12O4S
Exact Mass 216.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFXHbieAvGz
Name Butanedioic acid, methylene[(methylthio)methylene]-, dimethyl ester, (E)-
Alternate Name(s) 1-Methylthio-2,3-bismethoxycarbonylbuta-1,3-diene Dimethyl (3Z)-2-methylene-3-[(methylsulfanyl)methylene]butanedioate
CAS Registry Number 98610-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4S
InChI InChI=1S/C9H12O4S/c1-6(8(10)12-2)7(5-14-4)9(11)13-3/h5H,1H2,2-4H3/b7-5-
InChIKey WATGOVPABMTWKG-ALCCZGGFSA-N
Molecular Weight 216.251 g/mol
SMILES C(\C(C(=O)OC)=C\SC)(C(=O)OC)=C
SPLASH splash10-0a4i-4920000000-4fb4fca15ad7ca882eff
Source of Spectrum KC-1985-1164-13
Wiley ID 1215035