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2-Methylsulfanyl-5-dimethylamino-3-p-tolylpyrimidin-4(3H)-one

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

2-Methylsulfanyl-5-dimethylamino-3-p-tolylpyrimidin-4(3H)-one
SpectraBase Compound ID 18kNMAnPdqn
InChI InChI=1S/C14H17N3OS/c1-10-5-7-11(8-6-10)17-13(18)12(16(2)3)9-15-14(17)19-4/h5-9H,1-4H3
InChIKey NOCJJYVBQDENLZ-UHFFFAOYSA-N
Mol Weight 275.37 g/mol
Molecular Formula C14H17N3OS
Exact Mass 275.109233 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HIdhQNUQh2a
Name 2-Methylsulfanyl-5-dimethylamino-3-p-tolylpyrimidin-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.109233352 u
Formula C14H17N3OS
InChI InChI=1S/C14H17N3OS/c1-10-5-7-11(8-6-10)17-13(18)12(16(2)3)9-15-14(17)19-4/h5-9H,1-4H3
InChIKey NOCJJYVBQDENLZ-UHFFFAOYSA-N
SMILES C1(N(C(=NC=C1N(C)C)SC)C=1C=CC(=CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867463