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1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinan-2-one

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

1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinan-2-one
SpectraBase Compound ID 7qIZGT19TPH
InChI InChI=1S/C21H16Cl3N3O/c22-15-1-7-18(8-2-15)25-13-26(19-9-3-16(23)4-10-19)21(28)27(14-25)20-11-5-17(24)6-12-20/h1-12H,13-14H2
InChIKey TWNDADZYAKBMAY-UHFFFAOYSA-N
Mol Weight 432.74 g/mol
Molecular Formula C21H16Cl3N3O
Exact Mass 431.035895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GDu8C64n79g
Name 1,3,5-Tris(4-chlorophenyl)-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 431.035895246 u
Formula C21H16Cl3N3O
InChI InChI=1S/C21H16Cl3N3O/c22-15-1-7-18(8-2-15)25-13-26(19-9-3-16(23)4-10-19)21(28)27(14-25)20-11-5-17(24)6-12-20/h1-12H,13-14H2
InChIKey TWNDADZYAKBMAY-UHFFFAOYSA-N
Molecular Weight 432.738 g/mol
SMILES C1(N(CN(CN1C1=CC=C(C=C1)Cl)C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912693