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1H-Pyrazole-4-carboxylic acid, 4,5-dihydro-3-methyl-5-oxo-1-phenyl-, ethyl ester
SpectraBase Compound ID 1qcf1rojKei
InChI InChI=1S/C13H14N2O3/c1-3-18-13(17)11-9(2)14-15(12(11)16)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey WYRXIEUFRVSVEM-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kk6bs8bPeg
Name 1H-Pyrazole-4-carboxylic acid, 4,5-dihydro-3-methyl-5-oxo-1-phenyl-, ethyl ester
CAS Registry Number 29711-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-3-18-13(17)11-9(2)14-15(12(11)16)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey WYRXIEUFRVSVEM-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES CCOC(C1C(C)=NN(c2ccccc2)C1=O)=O
SPLASH splash10-0udi-6190000000-6027051779240afceb36
Source of Spectrum EP-6164-0-0
Synonyms Ethyl 3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylate 2-Pyrazoline-4-carboxylic acid, 3-methyl-5-oxo-1-phenyl-, ethyl ester 3-Methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxylic acid ethyl ester 5-keto-3-methyl-1-phenyl-2-pyrazoline-4-carboxylic acid ethyl ester Ethyl 3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazole-4-carboxylate Ethyl 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxylate
Wiley ID 1248791