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1-Ethyl-5-methyl-3-(phenylmethyl)pyrimidine-2,4-dione

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

1-Ethyl-5-methyl-3-(phenylmethyl)pyrimidine-2,4-dione
SpectraBase Compound ID Es5IuGQavLL
InChI InChI=1S/C14H16N2O2/c1-3-15-9-11(2)13(17)16(14(15)18)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKey WJBITCJVYKRDCT-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BKjA6YMAbl8
Name 1-Ethyl-5-methyl-3-(phenylmethyl)pyrimidine-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.121177761 u
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-3-15-9-11(2)13(17)16(14(15)18)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKey WJBITCJVYKRDCT-UHFFFAOYSA-N
Molecular Weight 244.294 g/mol
SMILES C1(N(C(C(=CN1CC)C)=O)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963519