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Benzene, 1-(decylsulfanyl)-2-methyl-

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

Benzene, 1-(decylsulfanyl)-2-methyl-
SpectraBase Compound ID BV7DVz1wNWZ
InChI InChI=1S/C17H28S/c1-3-4-5-6-7-8-9-12-15-18-17-14-11-10-13-16(17)2/h10-11,13-14H,3-9,12,15H2,1-2H3
InChIKey OQSKSWCZKOXJQD-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 B2qWUyqsxGE
Name Benzene, 1-(decylsulfanyl)-2-methyl-
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/c1-3-4-5-6-7-8-9-12-15-18-17-14-11-10-13-16(17)2/h10-11,13-14H,3-9,12,15H2,1-2H3
InChIKey OQSKSWCZKOXJQD-UHFFFAOYSA-N
Molecular Weight 264.471 g/mol
SMILES C1(=CC=CC=C1SCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86775