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4-(4H)Pyridinethione, N-[6-methylsulfonyl-N-hexyl]-

View entire compound with spectra: 1 FTIR

4-(4H)Pyridinethione, N-[6-methylsulfonyl-N-hexyl]-
SpectraBase Compound ID 456AD3ATuuM
InChI InChI=1S/C12H19NO2S2/c1-17(14,15)11-5-3-2-4-8-13-9-6-12(16)7-10-13/h6-7,9-10H,2-5,8,11H2,1H3
InChIKey GNXZUAIOCQXUOV-UHFFFAOYSA-N
Mol Weight 273.41 g/mol
Molecular Formula C12H19NO2S2
Exact Mass 273.085721 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D5G4wQvwxXG
Name 4-(4H)Pyridinethione, N-[6-methylsulfonyl-N-hexyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.085721202 u
Formula C12H19NO2S2
InChI InChI=1S/C12H19NO2S2/c1-17(14,15)11-5-3-2-4-8-13-9-6-12(16)7-10-13/h6-7,9-10H,2-5,8,11H2,1H3
InChIKey GNXZUAIOCQXUOV-UHFFFAOYSA-N
SMILES C=1N(C=CC(C1)=S)CCCCCCS(=O)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85393