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1H-Pyrazole-4-carboxylic acid, 5-(benzoylamino)-2,3-dihydro-3-oxo-, ethyl ester
SpectraBase Compound ID 8KF8fMQZXNB
InChI InChI=1S/C13H13N3O4/c1-2-20-13(19)9-10(15-16-12(9)18)14-11(17)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,14,15,16,17,18)
InChIKey TYMXNMGDUCQZSI-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C13H13N3O4
Exact Mass 275.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjN9sAyHLO4
Name 1H-Pyrazole-4-carboxylic acid, 5-(benzoylamino)-2,3-dihydro-3-oxo-, ethyl ester
CAS Registry Number 52566-51-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O4
InChI InChI=1S/C13H13N3O4/c1-2-20-13(19)9-10(15-16-12(9)18)14-11(17)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,14,15,16,17,18)
InChIKey TYMXNMGDUCQZSI-UHFFFAOYSA-N
Molecular Weight 275.264 g/mol
SMILES N1C(C(=C(NC(=O)c2ccccc2)N1)C(=O)OCC)=O
SPLASH splash10-056r-9430000000-a32ea64c1940641c12fa
Source of Spectrum J-40-2723-0
Synonyms Ethyl 5-(benzoylamino)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate Ethyl ester, benzamide of 3-amino-3-pyrazolin-5-one
Wiley ID 1278962