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

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

Pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(2-phenylethyl)-
SpectraBase Compound ID 9LyUhfP5wYc
InChI InChI=1S/C12H12N2O3/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15,17)
InChIKey MHIKXQXNKSZIGX-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5A5bs6UorNW
Name Pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(2-phenylethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.084792251 u
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15,17)
InChIKey MHIKXQXNKSZIGX-UHFFFAOYSA-N
Molecular Weight 232.239 g/mol
SMILES C1=CC=C(C=C1)CCN1C(CC(=O)NC1=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975233