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5,5-Dibenzyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID KbPPpOXOBs1
InChI InChI=1S/C20H20N2O3/c1-21-17(23)20(18(24)22(2)19(21)25,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey AKCCYMXEJXFRRN-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C20H20N2O3
Exact Mass 336.147393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6OfQGecV6jw
Name 5,5-Dibenzyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.147392509 u
Formula C20H20N2O3
InChI InChI=1S/C20H20N2O3/c1-21-17(23)20(18(24)22(2)19(21)25,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey AKCCYMXEJXFRRN-UHFFFAOYSA-N
Molecular Weight 336.391 g/mol
SMILES C1(CC2=CC=CC=C2)(CC2=CC=CC=C2)C(=O)N(C)C(N(C1=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927971