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4-(benzylthio)-6-methyl-1H-pyrimidin-2-one

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

4-(benzylthio)-6-methyl-1H-pyrimidin-2-one
SpectraBase Compound ID IMrhsTmrYgS
InChI InChI=1S/C12H12N2OS/c1-9-7-11(14-12(15)13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey WAPMXBDMGKIZGM-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C12H12N2OS
Exact Mass 232.067034 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9jnJVkrihAx
Name 4-(Benzylthio)-6-methyl-1H-pyrimidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.067034187 u
Formula C12H12N2OS
InChI InChI=1S/C12H12N2OS/c1-9-7-11(14-12(15)13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey WAPMXBDMGKIZGM-UHFFFAOYSA-N
Molecular Weight 232.301 g/mol
SMILES C1(NC(=CC(=N1)C)SCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945319