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1,5-Diphenyl-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbonyl)-pyrazole-4-carbonitrile
SpectraBase Compound ID EMYed8J5kuZ
InChI InChI=1S/C21H15N5O2/c1-14-12-18(27)26(23-14)21(28)19-17(13-22)20(15-8-4-2-5-9-15)25(24-19)16-10-6-3-7-11-16/h2-11H,12H2,1H3
InChIKey OAYJGHYYOPVFGI-UHFFFAOYSA-N
Mol Weight 369.38 g/mol
Molecular Formula C21H15N5O2
Exact Mass 369.122575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjhmdT54Jk4
Name 1,5-Diphenyl-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbonyl)-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N5O2
InChI InChI=1S/C21H15N5O2/c1-14-12-18(27)26(23-14)21(28)19-17(13-22)20(15-8-4-2-5-9-15)25(24-19)16-10-6-3-7-11-16/h2-11H,12H2,1H3
InChIKey OAYJGHYYOPVFGI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900176
Molecular Weight 369.384 g/mol
SMILES C(N1C(CC(=N1)C)=O)(c1c(C#N)c(-c2ccccc2)[n](-c2ccccc2)n1)=O
SPLASH splash10-00di-1093000000-0949d9c7ec2b1ba19e16
Source of Spectrum APC-343-394-16
Synonyms 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbonyl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile 3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)-oxomethyl]-1,5-diphenyl-4-pyrazolecarbonitrile 3-(3-Methyl-5-oxo-4H-pyrazole-1-carbonyl)-1,5-diphenylpyrazole-4-carbonitrile 3-(3-Methyl-5-oxo-4H-pyrazole-1-carbonyl)-1,5-diphenyl-pyrazole-4-carbonitrile 3-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)carbonyl]-1,5-diphenyl-pyrazole-4-carbonitrile
Wiley ID 1769068