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1H-pyrazole-3-carboxylic acid, 1-(4-carboxyphenyl)-4,5-dihydro-5-oxo-, 3-ethyl ester
SpectraBase Compound ID B6ZF7DJuAMU
InChI InChI=1S/C13H12N2O5/c1-2-20-13(19)10-7-11(16)15(14-10)9-5-3-8(4-6-9)12(17)18/h3-6H,2,7H2,1H3,(H,17,18)
InChIKey GAENKRKEATZTPX-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 9Kz4Td3EaBx
Name 1H-pyrazole-3-carboxylic acid, 1-(4-carboxyphenyl)-4,5-dihydro-5-oxo-, 3-ethyl ester
Alternate Name(s) 4-(3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid 4-[3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid 4-(3-Ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid 4-(3-Ethoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoic acid
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Formula C13H12N2O5
InChI InChI=1S/C13H12N2O5/c1-2-20-13(19)10-7-11(16)15(14-10)9-5-3-8(4-6-9)12(17)18/h3-6H,2,7H2,1H3,(H,17,18)
InChIKey GAENKRKEATZTPX-UHFFFAOYSA-N
Molecular Weight 276.248 g/mol
SMILES OC(c1ccc(N2N=C(C(OCC)=O)CC2=O)cc1)=O
SPLASH splash10-004i-3690000000-d4390b8704bf94d7cf97
Source of Spectrum JX-2015-2-727
Wiley ID 1722427