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3-(1,3-benzodioxol-5-yl)-2,5-diphenyl-4-(p-tolyl)-3H-1,2,4-triazole
SpectraBase Compound ID 6HYMsUU74Gd
InChI InChI=1S/C28H23N3O2/c1-20-12-15-23(16-13-20)30-27(21-8-4-2-5-9-21)29-31(24-10-6-3-7-11-24)28(30)22-14-17-25-26(18-22)33-19-32-25/h2-18,28H,19H2,1H3
InChIKey RTUZCMYYJFBOFL-UHFFFAOYSA-N
Mol Weight 433.51 g/mol
Molecular Formula C28H23N3O2
Exact Mass 433.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EWPykT0P4Q
Name 3-(1,3-benzodioxol-5-yl)-2,5-diphenyl-4-(p-tolyl)-3H-1,2,4-triazole
Alternate Name(s) 3-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)-2,5-diphenyl-3H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23N3O2
InChI InChI=1S/C28H23N3O2/c1-20-12-15-23(16-13-20)30-27(21-8-4-2-5-9-21)29-31(24-10-6-3-7-11-24)28(30)22-14-17-25-26(18-22)33-19-32-25/h2-18,28H,19H2,1H3
InChIKey RTUZCMYYJFBOFL-UHFFFAOYSA-N
Molecular Weight 433.511 g/mol
SMILES c1ccc(C=2N(C(N(c3ccccc3)N2)c2cc3OCOc3cc2)c2ccc(cc2)C)cc1
SPLASH splash10-03e9-5739300000-a86526f5b6dd8110ccaa
Wiley ID 1454522