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5-Acetyl-6-(phenylamino)-2-phenyl-3H-pyrimidine-4-thione

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

5-Acetyl-6-(phenylamino)-2-phenyl-3H-pyrimidine-4-thione
SpectraBase Compound ID 2x2w3GOnvAk
InChI InChI=1S/C18H15N3OS/c1-12(22)15-17(19-14-10-6-3-7-11-14)20-16(21-18(15)23)13-8-4-2-5-9-13/h2-11H,1H3,(H2,19,20,21,23)
InChIKey HMWLZUVIXRZRPM-UHFFFAOYSA-N
Mol Weight 321.4 g/mol
Molecular Formula C18H15N3OS
Exact Mass 321.093583 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ulZ7FgLkNJ
Name 5-Acetyl-6-(phenylamino)-2-phenyl-3H-pyrimidine-4-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.093583288 u
Formula C18H15N3OS
InChI InChI=1S/C18H15N3OS/c1-12(22)15-17(19-14-10-6-3-7-11-14)20-16(21-18(15)23)13-8-4-2-5-9-13/h2-11H,1H3,(H2,19,20,21,23)
InChIKey HMWLZUVIXRZRPM-UHFFFAOYSA-N
Molecular Weight 321.398 g/mol
SMILES C=1(N=C(C2=CC=CC=C2)NC(C1C(=O)C)=S)NC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89306