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1H-pyrazole-3-carboxylic acid, 4,5-dihydro-1-[4-(methoxycarbonyl)phenyl]-5-oxo-, methyl ester
SpectraBase Compound ID 1lEu3WRbGzN
InChI InChI=1S/C13H12N2O5/c1-19-12(17)8-3-5-9(6-4-8)15-11(16)7-10(14-15)13(18)20-2/h3-6H,7H2,1-2H3
InChIKey LLHKBEAVBCOXRY-UHFFFAOYSA-N
Mol Weight 276.25 g/mol
Molecular Formula C13H12N2O5
Exact Mass 276.074621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3t4XiASXCvj
Name 1H-pyrazole-3-carboxylic acid, 4,5-dihydro-1-[4-(methoxycarbonyl)phenyl]-5-oxo-, methyl ester
Alternate Name(s) Methyl 1-(4-(methoxycarbonyl)phenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate Methyl 1-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate 1-(4-Methoxycarbonylphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid methyl ester Methyl 1-(4-methoxycarbonylphenyl)-5-oxo-4H-pyrazole-3-carboxylate Methyl 1-(4-methoxycarbonylphenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate
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Formula C13H12N2O5
InChI InChI=1S/C13H12N2O5/c1-19-12(17)8-3-5-9(6-4-8)15-11(16)7-10(14-15)13(18)20-2/h3-6H,7H2,1-2H3
InChIKey LLHKBEAVBCOXRY-UHFFFAOYSA-N
Molecular Weight 276.248 g/mol
SMILES COC(=O)C1=NN(C(=O)C1)c1ccc(cc1)C(=O)OC
SPLASH splash10-004j-7980000000-f866fbbafbe91f80a340
Source of Spectrum JX-2015-2-728
Wiley ID 1722428