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Cyclohex-2-enyl(4-methoxyphenyl)sulfane

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

Cyclohex-2-enyl(4-methoxyphenyl)sulfane
SpectraBase Compound ID 4TlO0WX1HlK
InChI InChI=1S/C13H16OS/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h3,5,7-10,12H,2,4,6H2,1H3
InChIKey RWRRTBSBTQXPPZ-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DuKGgNUA5kF
Name Cyclohex-2-enyl(4-methoxyphenyl)sulfane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.092186308 u
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h3,5,7-10,12H,2,4,6H2,1H3
InChIKey RWRRTBSBTQXPPZ-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C=1(SC2C=CCCC2)C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896494