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N'-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2-cyano-3-(1,3-diphenyl-1H-pyrazol-5-yl)acrylohydrazide
SpectraBase Compound ID rCZIsocABH
InChI InChI=1S/C28H19N9O/c29-17-20(28(38)34-32-26-27-33-30-18-36(27)25-14-8-7-13-23(25)31-26)15-22-16-24(19-9-3-1-4-10-19)35-37(22)21-11-5-2-6-12-21/h1-16,18H,(H,31,32)(H,34,38)
InChIKey QKTABTYYKFBGQC-UHFFFAOYSA-N
Mol Weight 497.52 g/mol
Molecular Formula C28H19N9O
Exact Mass 497.171256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Fr8OVDcXti
Name N'-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2-cyano-3-(1,3-diphenyl-1H-pyrazol-5-yl)acrylohydrazide
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H19N9O
InChI InChI=1S/C28H19N9O/c29-17-20(28(38)34-32-26-27-33-30-18-36(27)25-14-8-7-13-23(25)31-26)15-22-16-24(19-9-3-1-4-10-19)35-37(22)21-11-5-2-6-12-21/h1-16,18H,(H,31,32)(H,34,38)
InChIKey QKTABTYYKFBGQC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4144
Molecular Weight 497.522 g/mol
SMILES N(C1=Nc2c(cccc2)-[n]2c1nnc2)NC(C(C#N)=Cc1cc(n[n]1-c1ccccc1)-c1ccccc1)=O
SPLASH splash10-0imj-3108900000-2ebcae7cafcc33720566
Source of Spectrum Y-57-SM18-6
Wiley ID 1859974