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5-Acetyl-4-(benzylamino)-6-methyl-1-phenyl-pyrimidin-2-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

5-Acetyl-4-(benzylamino)-6-methyl-1-phenyl-pyrimidin-2-one
SpectraBase Compound ID 8tNZ0Wk3F9H
InChI InChI=1S/C20H19N3O2/c1-14-18(15(2)24)19(21-13-16-9-5-3-6-10-16)22-20(25)23(14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,21,22,25)
InChIKey DEIVIPIPMMRDPG-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C20H19N3O2
Exact Mass 333.147727 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KdofVTclEvJ
Name 5-Acetyl-4-(benzylamino)-6-methyl-1-phenyl-pyrimidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.147726862 u
Formula C20H19N3O2
InChI InChI=1S/C20H19N3O2/c1-14-18(15(2)24)19(21-13-16-9-5-3-6-10-16)22-20(25)23(14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,21,22,25)
InChIKey DEIVIPIPMMRDPG-UHFFFAOYSA-N
Molecular Weight 333.391 g/mol
SMILES C1(N=C(C(=C(N1C=1C=CC=CC1)C)C(=O)C)NCC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926147