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1,4-Diphenyl-1,4-dihydro-1,2,4,5-tetrazine-3,6(2H,5H)-dione

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

1,4-Diphenyl-1,4-dihydro-1,2,4,5-tetrazine-3,6(2H,5H)-dione
SpectraBase Compound ID 3OGs6g0XaKl
InChI InChI=1S/C14H12N4O2/c19-13-16-18(12-9-5-2-6-10-12)14(20)15-17(13)11-7-3-1-4-8-11/h1-10H,(H,15,20)(H,16,19)
InChIKey PQCPZFSRTXQKIP-UHFFFAOYSA-N
Mol Weight 268.28 g/mol
Molecular Formula C14H12N4O2
Exact Mass 268.096026 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5cJpfaixKCV
Name 1,4-Diphenyl-1,4-dihydro-1,2,4,5-tetrazine-3,6(2H,5H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.096025640 u
Formula C14H12N4O2
InChI InChI=1S/C14H12N4O2/c19-13-16-18(12-9-5-2-6-10-12)14(20)15-17(13)11-7-3-1-4-8-11/h1-10H,(H,15,20)(H,16,19)
InChIKey PQCPZFSRTXQKIP-UHFFFAOYSA-N
SMILES C1(N(NC(N(N1)C=1C=CC=CC1)=O)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969437