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5-Bromo-6-propyl-2-phenylpyrimidin-4(3H)-one

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

5-Bromo-6-propyl-2-phenylpyrimidin-4(3H)-one
SpectraBase Compound ID GqqAASKLSC6
InChI InChI=1S/C13H13BrN2O/c1-2-6-10-11(14)13(17)16-12(15-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16,17)
InChIKey CRZGVAQNUZTYFA-UHFFFAOYSA-N
Mol Weight 293.16 g/mol
Molecular Formula C13H13BrN2O
Exact Mass 292.021126 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 78rql01PY9a
Name 5-Bromo-6-propyl-2-phenylpyrimidin-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.021126046 u
Formula C13H13BrN2O
InChI InChI=1S/C13H13BrN2O/c1-2-6-10-11(14)13(17)16-12(15-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16,17)
InChIKey CRZGVAQNUZTYFA-UHFFFAOYSA-N
Molecular Weight 293.164 g/mol
SMILES C1(NC(=NC(=C1Br)CCC)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940675