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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-oxo-1-phenylbutyl)-

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-oxo-1-phenylbutyl)-
SpectraBase Compound ID Cj9dTL5DQEB
InChI InChI=1S/C14H14N2O4/c1-8(17)7-10(9-5-3-2-4-6-9)11-12(18)15-14(20)16-13(11)19/h2-6,10-11H,7H2,1H3,(H2,15,16,18,19,20)
InChIKey OAHIOAKIKWDFBC-UHFFFAOYSA-N
Mol Weight 274.28 g/mol
Molecular Formula C14H14N2O4
Exact Mass 274.095357 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KW7rBv7LCQP
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-oxo-1-phenylbutyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.095356935 u
Formula C14H14N2O4
InChI InChI=1S/C14H14N2O4/c1-8(17)7-10(9-5-3-2-4-6-9)11-12(18)15-14(20)16-13(11)19/h2-6,10-11H,7H2,1H3,(H2,15,16,18,19,20)
InChIKey OAHIOAKIKWDFBC-UHFFFAOYSA-N
SMILES C1(C(C(=O)NC(N1)=O)C(CC(=O)C)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845962