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5-Amino-1-(5-(4-methoxybenzylidene)-6-oxo-7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)-1H-pyrazole-4-carbonitrile

View entire compound with spectra: 1 MS (GC)

5-Amino-1-(5-(4-methoxybenzylidene)-6-oxo-7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 3HZ2ay0vY4I
InChI InChI=1S/C22H16N8O2/c1-32-17-9-7-14(8-10-17)11-18-20(31)28(16-5-3-2-4-6-16)21-26-27-22(29(18)21)30-19(24)15(12-23)13-25-30/h2-11,13H,24H2,1H3
InChIKey PAXPZBVDUJCYKP-UHFFFAOYSA-N
Mol Weight 424.42 g/mol
Molecular Formula C22H16N8O2
Exact Mass 424.139622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mgF725SNCX
Name 5-Amino-1-(5-(4-methoxybenzylidene)-6-oxo-7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)-1H-pyrazole-4-carbonitrile
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.139621785 u
Formula C22H16N8O2
InChI InChI=1S/C22H16N8O2/c1-32-17-9-7-14(8-10-17)11-18-20(31)28(16-5-3-2-4-6-16)21-26-27-22(29(18)21)30-19(24)15(12-23)13-25-30/h2-11,13H,24H2,1H3
InChIKey PAXPZBVDUJCYKP-UHFFFAOYSA-N
Instrument Name Schimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4552
Molecular Weight 424.424 g/mol
SMILES NC=1N(C=2N3C(N(C(C3=CC3=CC=C(C=C3)OC)=O)C3=CC=CC=C3)=NN2)N=CC1C#N
SPLASH splash10-00di-3239500000-88f28d0233109c429318
Source of Spectrum Y-59-SM15-5 (DOI: 10.1002/jhet.4552)
Wiley ID 1892430