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1-Benzhydrilpyrimidine-2,4,6-trione
SpectraBase Compound ID G4izFLIejQW
InChI InChI=1S/C17H14N2O3/c20-14-11-15(21)19(17(22)18-14)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,18,20,22)
InChIKey JTGQVUBBMOQJIG-UHFFFAOYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C17H14N2O3
Exact Mass 294.100442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DapDaVRc9Sy
Name 1-Benzhydrilpyrimidine-2,4,6-trione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.100442316 u
Formula C17H14N2O3
InChI InChI=1S/C17H14N2O3/c20-14-11-15(21)19(17(22)18-14)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,18,20,22)
InChIKey JTGQVUBBMOQJIG-UHFFFAOYSA-N
Molecular Weight 294.310 g/mol
SMILES C1(N(C(NC(C1)=O)=O)C(C1=CC=CC=C1)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940454