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2-Butenedioic acid, [2-(acetyloxy)-3,4,5,6-tetrachlorophenyl]-, diethyl ester, (E)-
SpectraBase Compound ID DdlpdbWmAeb
InChI InChI=1S/C16H14Cl4O6/c1-4-24-9(22)6-8(16(23)25-5-2)10-11(17)12(18)13(19)14(20)15(10)26-7(3)21/h6H,4-5H2,1-3H3/b8-6+
InChIKey YPMWFZIUNXJOLN-SOFGYWHQSA-N
Mol Weight 444.1 g/mol
Molecular Formula C16H14Cl4O6
Exact Mass 441.954449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52w2QKFby7e
Name 2-Butenedioic acid, [2-(acetyloxy)-3,4,5,6-tetrachlorophenyl]-, diethyl ester, (E)-
CAS Registry Number 137676-12-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14Cl4O6
InChI InChI=1S/C16H14Cl4O6/c1-4-24-9(22)6-8(16(23)25-5-2)10-11(17)12(18)13(19)14(20)15(10)26-7(3)21/h6H,4-5H2,1-3H3/b8-6+
InChIKey YPMWFZIUNXJOLN-SOFGYWHQSA-N
Molecular Weight 444.094 g/mol
SMILES c1(\C(=C/C(=O)OCC)C(=O)OCC)c(c(Cl)c(c(c1Cl)Cl)Cl)OC(=O)C
SPLASH splash10-00lr-0093100000-474e59f736564ee3f0b4
Source of Spectrum KC-1990-2131-16
Synonyms Diethyl (2-acetoxy-3,4,5,6-tetrachlorophenyl)fumarate Diethyl (2E)-2-[2-(acetyloxy)-3,4,5,6-tetrachlorophenyl]-2-butenedioate
Wiley ID 1385178