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5-Amino-3-(4-chloroanilino)-1H-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID CCJMytcRhF5
InChI InChI=1S/C12H13ClN4O2/c1-2-19-12(18)9-10(14)16-17-11(9)15-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKey UODDXJFGSVTWOP-UHFFFAOYSA-N
Mol Weight 280.71 g/mol
Molecular Formula C12H13ClN4O2
Exact Mass 280.072703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMNWCDJXj3l
Name 5-Amino-3-(4-chloroanilino)-1H-pyrazole-4-carboxylic acid ethyl ester
CAS Registry Number 112606-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN4O2
InChI InChI=1S/C12H13ClN4O2/c1-2-19-12(18)9-10(14)16-17-11(9)15-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKey UODDXJFGSVTWOP-UHFFFAOYSA-N
Molecular Weight 280.715 g/mol
SMILES Nc1c(c(n[nH]1)Nc1ccc(cc1)Cl)C(=O)OCC
SPLASH splash10-0a4i-3900000000-bfc41c71827c883b3df6
Source of Spectrum W5-1989-36512-29024
Synonyms Ethyl 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carboxylate Ethyl 5-azanyl-3-[(4-chlorophenyl)amino]-1H-pyrazole-4-carboxylate
Wiley ID 1283460