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2,4,4,6-Tetraphenyl-4H-pyrimidin-5-one

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

2,4,4,6-Tetraphenyl-4H-pyrimidin-5-one
SpectraBase Compound ID F8FE4GV5iFT
InChI InChI=1S/C28H20N2O/c31-26-25(21-13-5-1-6-14-21)29-27(22-15-7-2-8-16-22)30-28(26,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey ZAESMULBROALED-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C28H20N2O
Exact Mass 400.157563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LYxdgcpfoOo
Name 2,4,4,6-Tetraphenyl-4H-pyrimidin-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.157563271 u
Formula C28H20N2O
InChI InChI=1S/C28H20N2O/c31-26-25(21-13-5-1-6-14-21)29-27(22-15-7-2-8-16-22)30-28(26,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey ZAESMULBROALED-UHFFFAOYSA-N
Molecular Weight 400.481 g/mol
SMILES C1(N=C(N=C(C1=O)C1=CC=CC=C1)C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843004