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1H-1,2,4-Triazole-5-acetonitrile, 4,5-dihydro-4-(4-methoxyphenyl)-1,3,5-triphenyl-
SpectraBase Compound ID IM5PtJrqzbd
InChI InChI=1S/C29H24N4O/c1-34-27-19-17-25(18-20-27)32-28(23-11-5-2-6-12-23)31-33(26-15-9-4-10-16-26)29(32,21-22-30)24-13-7-3-8-14-24/h2-20H,21H2,1H3
InChIKey PCFVGWKRIRDANQ-UHFFFAOYSA-N
Mol Weight 444.54 g/mol
Molecular Formula C29H24N4O
Exact Mass 444.195011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlbJJKfJDM4
Name 1H-1,2,4-Triazole-5-acetonitrile, 4,5-dihydro-4-(4-methoxyphenyl)-1,3,5-triphenyl-
CAS Registry Number 84662-47-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24N4O
InChI InChI=1S/C29H24N4O/c1-34-27-19-17-25(18-20-27)32-28(23-11-5-2-6-12-23)31-33(26-15-9-4-10-16-26)29(32,21-22-30)24-13-7-3-8-14-24/h2-20H,21H2,1H3
InChIKey PCFVGWKRIRDANQ-UHFFFAOYSA-N
Molecular Weight 444.538 g/mol
SMILES C1(N(C(=NN1c1ccccc1)c1ccccc1)c1ccc(cc1)OC)(CC#N)c1ccccc1
SPLASH splash10-0udi-0111900000-ad730f2cc56232ee1c95
Source of Spectrum K-116-195-0
Synonyms 4,5-Dihydro-4-(4-methoxyphenyl)-1,3,5-triphenyl-1H-1,2,4-triazol-5-acetonitrile [4-(4-methoxyphenyl)-1,3,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-yl]acetonitrile
Wiley ID 1386146