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5-Amino-1-benzoyl-1H-pyrazole-3,4-dicarbonitrile
SpectraBase Compound ID 8p74oX3awyO
InChI InChI=1S/C12H7N5O/c13-6-9-10(7-14)16-17(11(9)15)12(18)8-4-2-1-3-5-8/h1-5H,15H2
InChIKey UQWDIGVBCSPLAK-UHFFFAOYSA-N
Mol Weight 237.22 g/mol
Molecular Formula C12H7N5O
Exact Mass 237.06506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qu26mihSi
Name 5-Amino-1-benzoyl-1H-pyrazole-3,4-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7N5O
InChI InChI=1S/C12H7N5O/c13-6-9-10(7-14)16-17(11(9)15)12(18)8-4-2-1-3-5-8/h1-5H,15H2
InChIKey UQWDIGVBCSPLAK-UHFFFAOYSA-N
Molecular Weight 237.222 g/mol
SMILES Nc1[n](nc(C#N)c1C#N)C(=O)c1ccccc1
SPLASH splash10-0a4i-9600000000-7c7ad36d1262afa76214
Synonyms 5-Amino-1-benzoyl-pyrazole-3,4-dicarbonitrile 5-Azanyl-1-(phenylcarbonyl)pyrazole-3,4-dicarbonitrile
Wiley ID 1449898