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2H-Pyrazole-3-carboxylic acid, 2-methyl-, (4-cyanomethylphenyl)amide
SpectraBase Compound ID CmUyxrZpZwi
InChI InChI=1S/C13H12N4O/c1-17-12(7-9-15-17)13(18)16-11-4-2-10(3-5-11)6-8-14/h2-5,7,9H,6H2,1H3,(H,16,18)
InChIKey NNAQCTFXKZJAKD-UHFFFAOYSA-N
Mol Weight 240.27 g/mol
Molecular Formula C13H12N4O
Exact Mass 240.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qiGz8d8fK6
Name 2H-Pyrazole-3-carboxylic acid, 2-methyl-, (4-cyanomethylphenyl)amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4O
InChI InChI=1S/C13H12N4O/c1-17-12(7-9-15-17)13(18)16-11-4-2-10(3-5-11)6-8-14/h2-5,7,9H,6H2,1H3,(H,16,18)
InChIKey NNAQCTFXKZJAKD-UHFFFAOYSA-N
Molecular Weight 240.266 g/mol
SMILES N(C(c1[n](ncc1)C)=O)c1ccc(cc1)CC#N
SPLASH splash10-0a4i-3930000000-7a49b82e1dc37e404a06
Synonyms N-[4-(cyanomethyl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide N-[4-(cyanomethyl)phenyl]-2-methyl-3-pyrazolecarboxamide N-[4-(cyanomethyl)phenyl]-2-methyl-pyrazole-3-carboxamide
Wiley ID 1442074