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6-Cyclohexenyl-6-(phenylsulfanyl)-1-sulfanylhexane

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

6-Cyclohexenyl-6-(phenylsulfanyl)-1-sulfanylhexane
SpectraBase Compound ID 5bPOaV9OPPA
InChI InChI=1S/C18H26S2/c19-15-9-3-8-14-18(16-10-4-1-5-11-16)20-17-12-6-2-7-13-17/h2,6-7,10,12-13,18-19H,1,3-5,8-9,11,14-15H2
InChIKey ATQGRYFLTWIKHE-UHFFFAOYSA-N
Mol Weight 306.53 g/mol
Molecular Formula C18H26S2
Exact Mass 306.147593 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AeJw9Po0Cfk
Name 6-Cyclohexenyl-6-(phenylsulfanyl)-1-sulfanylhexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.147593185 u
Formula C18H26S2
InChI InChI=1S/C18H26S2/c19-15-9-3-8-14-18(16-10-4-1-5-11-16)20-17-12-6-2-7-13-17/h2,6-7,10,12-13,18-19H,1,3-5,8-9,11,14-15H2
InChIKey ATQGRYFLTWIKHE-UHFFFAOYSA-N
Molecular Weight 306.526 g/mol
SMILES C(S)CCCCC(SC1=CC=CC=C1)C=1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88988