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(E)-5-Amino-1-((4??-nitrophenylimino)(phenyl)methyl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID KE2UX6v8tVf
InChI InChI=1S/C17H12N6O2/c18-10-13-11-20-22(16(13)19)17(12-4-2-1-3-5-12)21-14-6-8-15(9-7-14)23(24)25/h1-9,11H,19H2/b21-17+
InChIKey QECQNNWGGCTGQJ-HEHNFIMWSA-N
Mol Weight 332.32 g/mol
Molecular Formula C17H12N6O2
Exact Mass 332.102174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AyuT5fJJ3W
Name (E)-5-Amino-1-((4??-nitrophenylimino)(phenyl)methyl)-1H-pyrazole-4-carbonitrile
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N6O2
InChI InChI=1S/C17H12N6O2/c18-10-13-11-20-22(16(13)19)17(12-4-2-1-3-5-12)21-14-6-8-15(9-7-14)23(24)25/h1-9,11H,19H2/b21-17+
InChIKey QECQNNWGGCTGQJ-HEHNFIMWSA-N
Instrument Name Finnigan Mat 8430
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.877
Molecular Weight 332.323 g/mol
SMILES Nc1[n](\C(=N\c2ccc(cc2)[N+]([O-])=O)c2ccccc2)ncc1C#N
SPLASH splash10-004i-4392000000-78c7822914c64daf039e
Source of Spectrum ARK-2016-99-3e
Wiley ID 1840812