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5-(5-Bromo-2-ethoxybenzylidene)barbituric acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

5-(5-Bromo-2-ethoxybenzylidene)barbituric acid
SpectraBase Compound ID BdJB9cSbMDG
InChI InChI=1S/C13H11BrN2O4/c1-2-20-10-4-3-8(14)5-7(10)6-9-11(17)15-13(19)16-12(9)18/h3-6H,2H2,1H3,(H2,15,16,17,18,19)
InChIKey ROZYDTCJKYUKSI-UHFFFAOYSA-N
Mol Weight 339.15 g/mol
Molecular Formula C13H11BrN2O4
Exact Mass 337.99022 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8hn4B4RmPne
Name 5-(5-Bromo-2-ethoxybenzylidene)barbituric acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.990219838 u
Formula C13H11BrN2O4
InChI InChI=1S/C13H11BrN2O4/c1-2-20-10-4-3-8(14)5-7(10)6-9-11(17)15-13(19)16-12(9)18/h3-6H,2H2,1H3,(H2,15,16,17,18,19)
InChIKey ROZYDTCJKYUKSI-UHFFFAOYSA-N
Molecular Weight 339.145 g/mol
SMILES N1C(NC(C(C1=O)=CC1=CC(=CC=C1OCC)Br)=O)=O
Spectrum/Structure Validation Score (Raman) 0.738269