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4-{(Z)-[4-(methoxycarbonyl)-1,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
SpectraBase Compound ID FSkSeRV8YPg
InChI InChI=1S/C16H15NO5/c1-9-13(16(21)22-3)12(14(18)17(9)2)8-10-4-6-11(7-5-10)15(19)20/h4-8H,1-3H3,(H,19,20)/b12-8-
InChIKey BAIMRTHCUUFMIM-WQLSENKSSA-N
Mol Weight 301.3 g/mol
Molecular Formula C16H15NO5
Exact Mass 301.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1SQG8JC5Lj
Name 4-[(Z)-(4-carbomethoxy-2-keto-1,5-dimethyl-2-pyrrolin-3-ylidene)methyl]benzoic acid
Alternate Name(s) 4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxidanylidene-pyrrol-3-ylidene)methyl]benzoic acid 4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxo-3-pyrrolylidene)methyl]benzoic acid 4-[(Z)-(4-methoxycarbonyl-1,5-dimethyl-2-oxo-pyrrol-3-ylidene)methyl]benzoic acid 4-{(Z)-[4-(methoxycarbonyl)-1,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
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Formula C16H15NO5
InChI InChI=1S/C16H15NO5/c1-9-13(16(21)22-3)12(14(18)17(9)2)8-10-4-6-11(7-5-10)15(19)20/h4-8H,1-3H3,(H,19,20)/b12-8-
InChIKey BAIMRTHCUUFMIM-WQLSENKSSA-N
Molecular Weight 301.298 g/mol
SMILES OC(c1ccc(\C=C\2C(=C(N(C)C2=O)C)C(=O)OC)cc1)=O
SPLASH splash10-0zfr-9634000000-cd8b4de1801fa860b800
Wiley ID 1512050