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7-Cyclohexenyl-7-(phenylsulfanyl)-heptan-1-ol

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

7-Cyclohexenyl-7-(phenylsulfanyl)-heptan-1-ol
SpectraBase Compound ID Kjf9WsXRxKB
InChI InChI=1S/C19H28OS/c20-16-10-2-1-9-15-19(17-11-5-3-6-12-17)21-18-13-7-4-8-14-18/h4,7-8,11,13-14,19-20H,1-3,5-6,9-10,12,15-16H2
InChIKey KMPIUTGSPNWOPV-UHFFFAOYSA-N
Mol Weight 304.49 g/mol
Molecular Formula C19H28OS
Exact Mass 304.186087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 39xRVw0Xx3u
Name 7-Cyclohexenyl-7-(phenylsulfanyl)-heptan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.186086695 u
Formula C19H28OS
InChI InChI=1S/C19H28OS/c20-16-10-2-1-9-15-19(17-11-5-3-6-12-17)21-18-13-7-4-8-14-18/h4,7-8,11,13-14,19-20H,1-3,5-6,9-10,12,15-16H2
InChIKey KMPIUTGSPNWOPV-UHFFFAOYSA-N
SMILES C(SC1=CC=CC=C1)(C1=CCCCC1)CCCCCCO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891553