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N-Decyl (4-methylphenyl) sulfide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Decyl (4-methylphenyl) sulfide
SpectraBase Compound ID IVACY83IhlI
InChI InChI=1S/C17H28S/c1-3-4-5-6-7-8-9-10-15-18-17-13-11-16(2)12-14-17/h11-14H,3-10,15H2,1-2H3
InChIKey UUVIMUSZPJBPAK-UHFFFAOYSA-N
Mol Weight 264.47 g/mol
Molecular Formula C17H28S
Exact Mass 264.191172 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8qSZmARZGIQ
Name N-Decyl (4-methylphenyl) sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.191172076 u
Formula C17H28S
InChI InChI=1S/C17H28S/c1-3-4-5-6-7-8-9-10-15-18-17-13-11-16(2)12-14-17/h11-14H,3-10,15H2,1-2H3
InChIKey UUVIMUSZPJBPAK-UHFFFAOYSA-N
Molecular Weight 264.471 g/mol
SMILES C1=C(C=CC(=C1)C)SCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817667