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Benzyl hexyl sulfide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Benzyl hexyl sulfide
SpectraBase Compound ID LGSJyCA4jh
InChI InChI=1S/C13H20S/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey IUWJHEHHSGOENJ-UHFFFAOYSA-N
Mol Weight 208.36 g/mol
Molecular Formula C13H20S
Exact Mass 208.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FR9N8prMUY
Name Benzyl hexyl sulfide
CAS Registry Number 34005-03-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20S
InChI InChI=1S/C13H20S/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey IUWJHEHHSGOENJ-UHFFFAOYSA-N
Molecular Weight 208.363 g/mol
SMILES C(SCc1ccccc1)CCCCC
SPLASH splash10-0006-9100000000-25393b4e00cbb5552174
Source of Spectrum QB-17-75-0
Synonyms benzyl n-hyxyl sulfide [(Hexylsulfanyl)methyl]benzene Hexylsulfanylmethylbenzene
Wiley ID 841610