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5-Acetyl-6-anilino-3-methyl-1H-pyrimidine-2,4-dione

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

5-Acetyl-6-anilino-3-methyl-1H-pyrimidine-2,4-dione
SpectraBase Compound ID Fv26fQW0RhK
InChI InChI=1S/C13H13N3O3/c1-8(17)10-11(14-9-6-4-3-5-7-9)15-13(19)16(2)12(10)18/h3-7,14H,1-2H3,(H,15,19)
InChIKey BMJQOTNPMKLCJT-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GgFzDAyDN5f
Name 5-Acetyl-6-anilino-3-methyl-1H-pyrimidine-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.095691288 u
Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-8(17)10-11(14-9-6-4-3-5-7-9)15-13(19)16(2)12(10)18/h3-7,14H,1-2H3,(H,15,19)
InChIKey BMJQOTNPMKLCJT-UHFFFAOYSA-N
SMILES C1(NC(=C(C(N1C)=O)C(=O)C)NC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96634