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3,4,6,11-Tetrahydro-4-phenyl-6,11-dioxo[1,2,3]triazino[1,2-b]phthalazine

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

3,4,6,11-Tetrahydro-4-phenyl-6,11-dioxo[1,2,3]triazino[1,2-b]phthalazine
SpectraBase Compound ID ArBxVkO2buC
InChI InChI=1S/C17H13N3O2/c21-16-13-8-4-5-9-14(13)17(22)20-18-11-10-15(19(16)20)12-6-2-1-3-7-12/h1-9,11,15H,10H2
InChIKey HLEZGFORJJFPDD-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C17H13N3O2
Exact Mass 291.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4xV6ClgG7qp
Name 3,4,6,11-Tetrahydro-4-phenyl-6,11-dioxo[1,2,3]triazino[1,2-B]phthalazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.100776669 u
Formula C17H13N3O2
InChI InChI=1S/C17H13N3O2/c21-16-13-8-4-5-9-14(13)17(22)20-18-11-10-15(19(16)20)12-6-2-1-3-7-12/h1-9,11,15H,10H2
InChIKey HLEZGFORJJFPDD-UHFFFAOYSA-N
SMILES C1(N2N(C(C=3C1=CC=CC3)=O)N=CCC2C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912992