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5-[5-(2-Carbamoyl-2-cyano-vinyl)-furan-2-yl]-2-chloro-benzoic acid methyl ester
SpectraBase Compound ID GpeyvAhJ0DG
InChI InChI=1S/C16H11ClN2O4/c1-22-16(21)12-7-9(2-4-13(12)17)14-5-3-11(23-14)6-10(8-18)15(19)20/h2-7H,1H3,(H2,19,20)/b10-6+
InChIKey PVCYOFKHQWILHY-UXBLZVDNSA-N
Mol Weight 330.73 g/mol
Molecular Formula C16H11ClN2O4
Exact Mass 330.040735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZVZj8mdks1
Name 5-[5-(2-Carbamoyl-2-cyano-vinyl)-furan-2-yl]-2-chloro-benzoic acid methyl ester
Alternate Name(s) 5-[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-chloro-benzoic acid methyl ester 5-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]-2-chlorobenzoic acid methyl ester Methyl 5-[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-2-chloro-benzoate Methyl 5-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate Methyl 5-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate
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Formula C16H11ClN2O4
InChI InChI=1S/C16H11ClN2O4/c1-22-16(21)12-7-9(2-4-13(12)17)14-5-3-11(23-14)6-10(8-18)15(19)20/h2-7H,1H3,(H2,19,20)/b10-6+
InChIKey PVCYOFKHQWILHY-UXBLZVDNSA-N
Molecular Weight 330.727 g/mol
SMILES NC(\C(=C\c1oc(-c2cc(C(=O)OC)c(cc2)Cl)cc1)C#N)=O
SPLASH splash10-001i-4956000000-5fe99d79c83f84fab13d
Wiley ID 1436992