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(Z)-5-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-3-phenyl-1,2-dihydro-1,2,4-triazin-6(5H)-one
SpectraBase Compound ID DSESh99zMjv
InChI InChI=1S/C25H19N5O/c31-25-22(26-24(27-28-25)19-12-6-2-7-13-19)16-20-17-30(21-14-8-3-9-15-21)29-23(20)18-10-4-1-5-11-18/h1-17H,(H,26,27)(H,28,31)/b22-16-
InChIKey QRTBDEVRWUZRFP-JWGURIENSA-N
Mol Weight 405.46 g/mol
Molecular Formula C25H19N5O
Exact Mass 405.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL39o3Yy5Om
Name (Z)-5-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-3-phenyl-1,2-dihydro-1,2,4-triazin-6(5H)-one
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19N5O
InChI InChI=1S/C25H19N5O/c31-25-22(26-24(27-28-25)19-12-6-2-7-13-19)16-20-17-30(21-14-8-3-9-15-21)29-23(20)18-10-4-1-5-11-18/h1-17H,(H,26,27)(H,28,31)/b22-16-
InChIKey QRTBDEVRWUZRFP-JWGURIENSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2411
Molecular Weight 405.461 g/mol
SMILES N1NC(=N\C(=C/c2c[n](nc2-c2ccccc2)-c2ccccc2)C1=O)c1ccccc1
SPLASH splash10-0aor-2789100000-7498445042cd6fc4f39b
Source of Spectrum Y-53-181-11
Wiley ID 1877598