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(E,Z)-N-(3-(2,5-Dimethyl-1H-pyrazol-1-ylamino)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)benzamide
SpectraBase Compound ID LbMAYJ3QBKO
InChI InChI=1S/C31H27N5O2/c1-22-18-19-23(2)36(22)34-31(38)28(32-30(37)25-14-8-4-9-15-25)20-26-21-35(27-16-10-5-11-17-27)33-29(26)24-12-6-3-7-13-24/h3-21H,1-2H3,(H,32,37)(H,34,38)
InChIKey GICIEXJPVVYULE-UHFFFAOYSA-N
Mol Weight 501.59 g/mol
Molecular Formula C31H27N5O2
Exact Mass 501.216475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78HgztLEMog
Name (E,Z)-N-(3-(2,5-Dimethyl-1H-pyrazol-1-ylamino)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)benzamide
Appearance Pale green crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27N5O2
InChI InChI=1S/C31H27N5O2/c1-22-18-19-23(2)36(22)34-31(38)28(32-30(37)25-14-8-4-9-15-25)20-26-21-35(27-16-10-5-11-17-27)33-29(26)24-12-6-3-7-13-24/h3-21H,1-2H3,(H,32,37)(H,34,38)
InChIKey GICIEXJPVVYULE-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2411
Molecular Weight 501.590 g/mol
SMILES N(C(C(NC(c1ccccc1)=O)=Cc1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O)[n]1c(ccc1C)C
SPLASH splash10-0a6r-5900000000-a23bf9aab07d8c88e0dc
Source of Spectrum Y-53-180-7b
Wiley ID 1877609