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Hexahydro-gamma-methyl-2,4,6-trioxo-5-pyrimidinebutyric acid, ethyl ester

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

Hexahydro-gamma-methyl-2,4,6-trioxo-5-pyrimidinebutyric acid, ethyl ester
SpectraBase Compound ID 3sRQJzbDdD3
InChI InChI=1S/C11H16N2O5/c1-3-18-7(14)5-4-6(2)8-9(15)12-11(17)13-10(8)16/h6,8H,3-5H2,1-2H3,(H2,12,13,15,16,17)
InChIKey VXJMTLREBAPIBL-UHFFFAOYSA-N
Mol Weight 256.26 g/mol
Molecular Formula C11H16N2O5
Exact Mass 256.105922 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4VkoSEt5l9F
Name Hexahydro-gamma-methyl-2,4,6-trioxo-5-pyrimidinebutyric acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.105921618 u
Formula C11H16N2O5
InChI InChI=1S/C11H16N2O5/c1-3-18-7(14)5-4-6(2)8-9(15)12-11(17)13-10(8)16/h6,8H,3-5H2,1-2H3,(H2,12,13,15,16,17)
InChIKey VXJMTLREBAPIBL-UHFFFAOYSA-N
SMILES N1C(NC(C(C1=O)C(C)CCC(=O)OCC)=O)=O
Spectrum/Structure Validation Score (Raman) 0.982719