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2,2'-Diphenyl-2H,2'H-[4,4']bi[[1,2,4]-triazolyl]-3,3'-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2,2'-Diphenyl-2H,2'H-[4,4']bi[[1,2,4]-triazolyl]-3,3'-dione
SpectraBase Compound ID JrO5VoElTYg
InChI InChI=1S/C16H12N6O2/c23-15-19(11-17-21(15)13-7-3-1-4-8-13)20-12-18-22(16(20)24)14-9-5-2-6-10-14/h1-12H
InChIKey DWHMDYWAXJEQNV-UHFFFAOYSA-N
Mol Weight 320.31 g/mol
Molecular Formula C16H12N6O2
Exact Mass 320.102174 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 72utZe5x6J8
Name 2,2'-Diphenyl-2H,2'H-[4,4']bi[[1,2,4]-triazolyl]-3,3'-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.102173648 u
Formula C16H12N6O2
InChI InChI=1S/C16H12N6O2/c23-15-19(11-17-21(15)13-7-3-1-4-8-13)20-12-18-22(16(20)24)14-9-5-2-6-10-14/h1-12H
InChIKey DWHMDYWAXJEQNV-UHFFFAOYSA-N
Molecular Weight 320.312 g/mol
SMILES C1(N(N=CN1N1C(N(N=C1)C1=CC=CC=C1)=O)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897979