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Hexanenitrile, 6-hydroxy-5-[(4-methylphenyl)thio]-
SpectraBase Compound ID 60lKtySAl
InChI InChI=1S/C13H17NOS/c1-11-5-7-12(8-6-11)16-13(10-15)4-2-3-9-14/h5-8,13,15H,2-4,10H2,1H3
InChIKey AYCTVGIFGUUMBE-UHFFFAOYSA-N
Mol Weight 235.34 g/mol
Molecular Formula C13H17NOS
Exact Mass 235.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8W7A8FpxBbz
Name Hexanenitrile, 6-hydroxy-5-[(4-methylphenyl)thio]-
CAS Registry Number 108078-60-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NOS
InChI InChI=1S/C13H17NOS/c1-11-5-7-12(8-6-11)16-13(10-15)4-2-3-9-14/h5-8,13,15H,2-4,10H2,1H3
InChIKey AYCTVGIFGUUMBE-UHFFFAOYSA-N
Molecular Weight 235.345 g/mol
SMILES OCC(Sc1ccc(cc1)C)CCCC#N
SPLASH splash10-00di-0890000000-2df93c1dcea3c2a4ca3f
Source of Spectrum KC-1988-2527-31
Synonyms 6-Hydroxy-5-(4-methylphenylthio)hexanenitrile 6-Hydroxy-5-p-tolylthiohexanenitrile 6-Hydroxy-5-[(4-methylphenyl)sulfanyl]hexanenitrile
Wiley ID 1237079