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5-Methyl-1,3-di(4-methylphenyl)hexahydro-1,3,5-triazin-2-thione

View entire compound with spectra: 1 FTIR

5-Methyl-1,3-di(4-methylphenyl)hexahydro-1,3,5-triazin-2-thione
SpectraBase Compound ID BGGvsBK0cqR
InChI InChI=1S/C18H21N3S/c1-14-4-8-16(9-5-14)20-12-19(3)13-21(18(20)22)17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3
InChIKey RWEIUVBCJZTPSN-UHFFFAOYSA-N
Mol Weight 311.45 g/mol
Molecular Formula C18H21N3S
Exact Mass 311.145619 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2BkS3F5RodP
Name 5-Methyl-1,3-di(4-methylphenyl)hexahydro-1,3,5-triazin-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.145618862 u
Formula C18H21N3S
InChI InChI=1S/C18H21N3S/c1-14-4-8-16(9-5-14)20-12-19(3)13-21(18(20)22)17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3
InChIKey RWEIUVBCJZTPSN-UHFFFAOYSA-N
Molecular Weight 311.447 g/mol
SMILES C1N(C(N(CN1C)C1=CC=C(C=C1)C)=S)C1=CC=C(C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895035