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5-Acetyl-3-phenyl-1,2,3,4-tetrahydropyrimidin-2-thione

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5-Acetyl-3-phenyl-1,2,3,4-tetrahydropyrimidin-2-thione
SpectraBase Compound ID 3ZXPUjXvyfe
InChI InChI=1S/C12H12N2OS/c1-9(15)10-7-13-12(16)14(8-10)11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,13,16)
InChIKey APPSHDGXEHYPRD-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 9bdprf0nu4C
Name 5-Acetyl-3-phenyl-1,2,3,4-tetrahydropyrimidin-2-thione
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(15)10-7-13-12(16)14(8-10)11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,13,16)
InChIKey APPSHDGXEHYPRD-UHFFFAOYSA-N
Molecular Weight 232.301 g/mol
SMILES C1(N(CC(=CN1)C(=O)C)C1=CC=CC=C1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957362