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5-Amino-1-benzoyl-1H-pyrazole-3,3,4-(2H)-tricarbonitrile
SpectraBase Compound ID EqwKgysWuyh
InChI InChI=1S/C13H8N6O/c14-6-10-11(17)19(18-13(10,7-15)8-16)12(20)9-4-2-1-3-5-9/h1-5,18H,17H2
InChIKey YBSGWTYNPAXUQQ-UHFFFAOYSA-N
Mol Weight 264.25 g/mol
Molecular Formula C13H8N6O
Exact Mass 264.075959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B5eV91SXhN
Name 5-Amino-1-benzoyl-1H-pyrazole-3,3,4-(2H)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N6O
InChI InChI=1S/C13H8N6O/c14-6-10-11(17)19(18-13(10,7-15)8-16)12(20)9-4-2-1-3-5-9/h1-5,18H,17H2
InChIKey YBSGWTYNPAXUQQ-UHFFFAOYSA-N
Molecular Weight 264.248 g/mol
SMILES N1N(C(=C(C#N)C1(C#N)C#N)N)C(=O)c1ccccc1
SPLASH splash10-0aor-5940000000-4b53dd98067134628bd7
Source of Spectrum F2-44-3485-5a
Synonyms 3-Amino-2-benzoyl-1H-pyrazole-4,5,5-tricarbonitrile 3-Azanyl-2-(phenylcarbonyl)-1H-pyrazole-4,5,5-tricarbonitrile
Wiley ID 1705972