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2-Pentenedioic acid, 3-chloro-, 5-methyl ester, (E)-
SpectraBase Compound ID KXddjLqd8j0
InChI InChI=1S/C6H7ClO4/c1-11-6(10)3-4(7)2-5(8)9/h2H,3H2,1H3,(H,8,9)/b4-2+
InChIKey ZXRYAXWLJKKTOJ-DUXPYHPUSA-N
Mol Weight 178.57 g/mol
Molecular Formula C6H7ClO4
Exact Mass 178.003286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSfY7y74XRL
Name 2-Pentenedioic acid, 3-chloro-, 5-methyl ester, (E)-
Alternate Name(s) (2E)-3-chloro-5-methoxy-5-oxo-2-pentenoic acid 3-Chloro-4-methoxycarbonylbut-2-enoic acid
CAS Registry Number 97602-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7ClO4
InChI InChI=1S/C6H7ClO4/c1-11-6(10)3-4(7)2-5(8)9/h2H,3H2,1H3,(H,8,9)/b4-2+
InChIKey ZXRYAXWLJKKTOJ-DUXPYHPUSA-N
Molecular Weight 178.571 g/mol
SMILES OC(\C=C/(CC(=O)OC)Cl)=O
SPLASH splash10-052b-6900000000-8149f628501b67a9cf3b
Source of Spectrum KC-1985-754-21
Wiley ID 1173531