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5-Ethyl-5-phenyl-4-thioxodihydropyrimidine-2,6-dione

View entire compound with spectra: 1 FTIR

5-Ethyl-5-phenyl-4-thioxodihydropyrimidine-2,6-dione
SpectraBase Compound ID 4Z5IrLcC6lf
InChI InChI=1S/C12H12N2O2S/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(16)14-10(12)17/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey FQPNGEWWZUCMKL-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Enu4lunACy5
Name 5-Ethyl-5-phenyl-4-thioxodihydropyrimidine-2,6-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.061948806 u
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(16)14-10(12)17/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey FQPNGEWWZUCMKL-UHFFFAOYSA-N
Molecular Weight 248.300 g/mol
SMILES C1(NC(NC(C1(CC)C1=CC=CC=C1)=S)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941856