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3-(2-Chloroethyl)-1-phenylbarbituric acid

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

3-(2-Chloroethyl)-1-phenylbarbituric acid
SpectraBase Compound ID 98ADmDSSPBM
InChI InChI=1S/C12H11ClN2O3/c13-6-7-14-10(16)8-11(17)15(12(14)18)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey ICJAFIUMJHZHTI-UHFFFAOYSA-N
Mol Weight 266.68 g/mol
Molecular Formula C12H11ClN2O3
Exact Mass 266.04582 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7MnIac6aB6M
Name 3-(2-Chloroethyl)-1-phenylbarbituric acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.045819919 u
Formula C12H11ClN2O3
InChI InChI=1S/C12H11ClN2O3/c13-6-7-14-10(16)8-11(17)15(12(14)18)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey ICJAFIUMJHZHTI-UHFFFAOYSA-N
Molecular Weight 266.684 g/mol
SMILES C=1C(=CC=CC1)N1C(N(C(CC1=O)=O)CCCl)=O
Spectrum/Structure Validation Score (Raman) 0.894721