For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Hexanenitrile, 5-hydroxy-6-[(4-methylphenyl)thio]-
SpectraBase Compound ID FWvYIkNZNTv
InChI InChI=1S/C13H17NOS/c1-11-5-7-13(8-6-11)16-10-12(15)4-2-3-9-14/h5-8,12,15H,2-4,10H2,1H3
InChIKey YRDIVZILYLHVKZ-UHFFFAOYSA-N
Mol Weight 235.34 g/mol
Molecular Formula C13H17NOS
Exact Mass 235.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4Q5p8NbMe6f
Name Hexanenitrile, 5-hydroxy-6-[(4-methylphenyl)thio]-
CAS Registry Number 108078-59-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NOS
InChI InChI=1S/C13H17NOS/c1-11-5-7-13(8-6-11)16-10-12(15)4-2-3-9-14/h5-8,12,15H,2-4,10H2,1H3
InChIKey YRDIVZILYLHVKZ-UHFFFAOYSA-N
Molecular Weight 235.345 g/mol
SMILES OC(CSc1ccc(cc1)C)CCCC#N
SPLASH splash10-000i-0950000000-5cf19e36bf05bd88b03a
Source of Spectrum KC-1988-2527-30
Synonyms 5-Hydroxy-6-(4-methylphenylthio)hexanenitrile 5-Hydroxy-6-p-tolylthiohexanenitrile 5-hydroxy-6-[(4-methylphenyl)sulfanyl]hexanenitrile
Wiley ID 1237078