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1,5-Dibenzylpyrimidine-2,4,6(1H,3H,5H)-trione

View entire compound with spectra: 1 NMR, and 1 FTIR

1,5-Dibenzylpyrimidine-2,4,6(1H,3H,5H)-trione
SpectraBase Compound ID 7tjp7xv4lGV
InChI InChI=1S/C18H16N2O3/c21-16-15(11-13-7-3-1-4-8-13)17(22)20(18(23)19-16)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21,23)
InChIKey FINYAXPVJHNQGW-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C18H16N2O3
Exact Mass 308.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FDPYGn4OmXJ
Name 1,5-Dibenzylpyrimidine-2,4,6(1H,3H,5H)-trione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.116092380 u
Formula C18H16N2O3
InChI InChI=1S/C18H16N2O3/c21-16-15(11-13-7-3-1-4-8-13)17(22)20(18(23)19-16)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21,23)
InChIKey FINYAXPVJHNQGW-UHFFFAOYSA-N
Molecular Weight 308.337 g/mol
SMILES C1(NC(C(C(N1CC1=CC=CC=C1)=O)CC1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970095