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1,5-bis(4-Bromophenyl)-3-phenyl-1,3,5-triazinan-2-one

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

1,5-bis(4-Bromophenyl)-3-phenyl-1,3,5-triazinan-2-one
SpectraBase Compound ID 1IVqMbN6Trj
InChI InChI=1S/C21H17Br2N3O/c22-16-6-10-18(11-7-16)24-14-25(19-4-2-1-3-5-19)21(27)26(15-24)20-12-8-17(23)9-13-20/h1-13H,14-15H2
InChIKey DSVWLQCVLNRXEX-UHFFFAOYSA-N
Mol Weight 487.2 g/mol
Molecular Formula C21H17Br2N3O
Exact Mass 484.973838 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HoWBKQd4N3h
Name 1,5-bis(4-Bromophenyl)-3-phenyl-1,3,5-triazinan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.973838178 u
Formula C21H17Br2N3O
InChI InChI=1S/C21H17Br2N3O/c22-16-6-10-18(11-7-16)24-14-25(19-4-2-1-3-5-19)21(27)26(15-24)20-12-8-17(23)9-13-20/h1-13H,14-15H2
InChIKey DSVWLQCVLNRXEX-UHFFFAOYSA-N
Molecular Weight 487.195 g/mol
SMILES C1(N(CN(CN1C=1C=CC=CC1)C1=CC=C(C=C1)Br)C=1C=CC(=CC1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812084