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4,4,6-Trimethyl-1-phenyl-3,4-dihydro-2(1H)-pyrimidinethione

View entire compound with spectra: 1 FTIR

4,4,6-Trimethyl-1-phenyl-3,4-dihydro-2(1H)-pyrimidinethione
SpectraBase Compound ID 237zV7oibLm
InChI InChI=1S/C13H16N2S/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)
InChIKey XVHGXRIOJOSLFN-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C13H16N2S
Exact Mass 232.10342 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LjchpuvtJnD
Name 4,4,6-Trimethyl-1-phenyl-3,4-dihydro-2(1H)-pyrimidinethione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.103419697 u
Formula C13H16N2S
InChI InChI=1S/C13H16N2S/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)
InChIKey XVHGXRIOJOSLFN-UHFFFAOYSA-N
Molecular Weight 232.345 g/mol
SMILES C1(=S)NC(C=C(N1C1=CC=CC=C1)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916627