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(E)-4-(5-chloro-2-methoxy-4-methyl-phenyl)-4-keto-but-2-enoic acid methyl ester
SpectraBase Compound ID LUFGFUaavSi
InChI InChI=1S/C13H13ClO4/c1-8-6-12(17-2)9(7-10(8)14)11(15)4-5-13(16)18-3/h4-7H,1-3H3/b5-4+
InChIKey YVVOSSMDKXQHGA-SNAWJCMRSA-N
Mol Weight 268.7 g/mol
Molecular Formula C13H13ClO4
Exact Mass 268.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5jrNKCkExe
Name (E)-4-(5-chloro-2-methoxy-4-methyl-phenyl)-4-keto-but-2-enoic acid methyl ester
Alternate Name(s) (E)-4-(5-chloro-2-methoxy-4-methylphenyl)-4-oxo-2-butenoic acid methyl ester Methyl (E)-4-(5-chloranyl-2-methoxy-4-methyl-phenyl)-4-oxidanylidene-but-2-enoate Methyl (E)-4-(5-chloro-2-methoxy-4-methyl-phenyl)-4-oxo-but-2-enoate
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Formula C13H13ClO4
InChI InChI=1S/C13H13ClO4/c1-8-6-12(17-2)9(7-10(8)14)11(15)4-5-13(16)18-3/h4-7H,1-3H3/b5-4+
InChIKey YVVOSSMDKXQHGA-SNAWJCMRSA-N
Molecular Weight 268.696 g/mol
SMILES c1(cc(Cl)c(cc1OC)C)C(\C=C\C(=O)OC)=O
SPLASH splash10-053r-0890000000-16544f29423866bf3e27
Source of Spectrum K-2001-1319-4
Wiley ID 1579090