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4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

View entire compound with spectra: 1 FTIR

4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
SpectraBase Compound ID G3qsxIsLzof
InChI InChI=1S/C14H14N2O5/c1-7-11(13(17)18)12(16-14(19)15-7)8-2-3-9-10(6-8)21-5-4-20-9/h2-3,6,12H,4-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKey WQRMOSSHLLXCPD-UHFFFAOYSA-N
Mol Weight 290.27 g/mol
Molecular Formula C14H14N2O5
Exact Mass 290.090272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID wL5yAvUqMI
Name 4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.090271554 u
Formula C14H14N2O5
InChI InChI=1S/C14H14N2O5/c1-7-11(13(17)18)12(16-14(19)15-7)8-2-3-9-10(6-8)21-5-4-20-9/h2-3,6,12H,4-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKey WQRMOSSHLLXCPD-UHFFFAOYSA-N
SMILES C12=CC(=CC=C2OCCO1)C1C(C(O)=O)=C(C)NC(N1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849712