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6-(3-Fluorophenyl)-1,3-dimethyl-pyrimidine-2,4-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

6-(3-Fluorophenyl)-1,3-dimethyl-pyrimidine-2,4-dione
SpectraBase Compound ID F05NXb2cTfL
InChI InChI=1S/C12H11FN2O2/c1-14-10(7-11(16)15(2)12(14)17)8-4-3-5-9(13)6-8/h3-7H,1-2H3
InChIKey JWFASXKDQMQRRT-UHFFFAOYSA-N
Mol Weight 234.23 g/mol
Molecular Formula C12H11FN2O2
Exact Mass 234.080456 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9irXVq0SMzD
Name 6-(3-Fluorophenyl)-1,3-dimethyl-pyrimidine-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.080455763 u
Formula C12H11FN2O2
InChI InChI=1S/C12H11FN2O2/c1-14-10(7-11(16)15(2)12(14)17)8-4-3-5-9(13)6-8/h3-7H,1-2H3
InChIKey JWFASXKDQMQRRT-UHFFFAOYSA-N
Molecular Weight 234.230 g/mol
SMILES C1(N(C(=CC(N1C)=O)C=1C=C(C=CC1)F)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816213