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2-Butenedioic acid, 2-chloro-3-(phenyldithio)-, dimethyl ester, (E)-
SpectraBase Compound ID D05gx2NQ3FT
InChI InChI=1S/C12H11ClO4S2/c1-16-11(14)9(13)10(12(15)17-2)19-18-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+
InChIKey LNCMEMIICOTTAR-MDZDMXLPSA-N
Mol Weight 318.79 g/mol
Molecular Formula C12H11ClO4S2
Exact Mass 317.978729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID u28dsjo6MZ
Name 2-Butenedioic acid, 2-chloro-3-(phenyldithio)-, dimethyl ester, (E)-
Alternate Name(s) Dimethyl (2E)-2-chloro-3-(phenyldisulfanyl)-2-butenedioate Dimethyl 2-chloro-3-(phenyldithio)fumarate
CAS Registry Number 66479-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClO4S2
InChI InChI=1S/C12H11ClO4S2/c1-16-11(14)9(13)10(12(15)17-2)19-18-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+
InChIKey LNCMEMIICOTTAR-MDZDMXLPSA-N
Molecular Weight 318.789 g/mol
SMILES C(\C(=C\(SSc1ccccc1)C(=O)OC)Cl)(=O)OC
SPLASH splash10-0a4i-8494000000-2303d825f9f1793fab52
Source of Spectrum SB-32-154-0
Wiley ID 1317981