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Trans-cinnamyl hexyl sulfide

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

Trans-cinnamyl hexyl sulfide
SpectraBase Compound ID LI6A4c3TNaj
InChI InChI=1S/C15H22S/c1-2-3-4-8-13-16-14-9-12-15-10-6-5-7-11-15/h5-7,9-12H,2-4,8,13-14H2,1H3/b12-9+
InChIKey PYHLKMWWNUGGCW-FMIVXFBMSA-N
Mol Weight 234.4 g/mol
Molecular Formula C15H22S
Exact Mass 234.144222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JqFQTTQmguM
Name Trans-cinnamyl hexyl sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.144221882 u
Formula C15H22S
InChI InChI=1S/C15H22S/c1-2-3-4-8-13-16-14-9-12-15-10-6-5-7-11-15/h5-7,9-12H,2-4,8,13-14H2,1H3/b12-9+
InChIKey PYHLKMWWNUGGCW-FMIVXFBMSA-N
Molecular Weight 234.401 g/mol
SMILES C(SC\C=C\C=1C=CC=CC1)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881154