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2-[(E)-hex-1-enyl]sulfanylethylbenzene

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

2-[(E)-hex-1-enyl]sulfanylethylbenzene
SpectraBase Compound ID 4nghexCYAcu
InChI InChI=1S/C14H20S/c1-2-3-4-8-12-15-13-11-14-9-6-5-7-10-14/h5-10,12H,2-4,11,13H2,1H3/b12-8+
InChIKey VUVDFJLJIIJMHG-XYOKQWHBSA-N
Mol Weight 220.37 g/mol
Molecular Formula C14H20S
Exact Mass 220.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6zpivwgQJtm
Name 2-[(E)-hex-1-Enyl]sulfanylethylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.128571818 u
Formula C14H20S
InChI InChI=1S/C14H20S/c1-2-3-4-8-12-15-13-11-14-9-6-5-7-10-14/h5-10,12H,2-4,11,13H2,1H3/b12-8+
InChIKey VUVDFJLJIIJMHG-XYOKQWHBSA-N
Molecular Weight 220.374 g/mol
SMILES C(\C=C\SCCC=1C=CC=CC1)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891639