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Hexanenitrile, 6-hydroxy-5-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

Hexanenitrile, 6-hydroxy-5-(phenylthio)-
SpectraBase Compound ID 27c9hEH6Wai
InChI InChI=1S/C12H15NOS/c13-9-5-4-8-12(10-14)15-11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8,10H2
InChIKey ZCZQLRVKHKTQAJ-UHFFFAOYSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICt3m0Po3gZ
Name Hexanenitrile, 6-hydroxy-5-(phenylthio)-
Alternate Name(s) 6-Hydroxy-5-(phenylsulfanyl)hexanenitrile 6-Hydroxy-5-(phenylthio)hexanenitrile
CAS Registry Number 108078-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c13-9-5-4-8-12(10-14)15-11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8,10H2
InChIKey ZCZQLRVKHKTQAJ-UHFFFAOYSA-N
Molecular Weight 221.318 g/mol
SMILES OCC(Sc1ccccc1)CCCC#N
SPLASH splash10-01vo-0920000000-09db32ad8bb7cc59d021
Source of Spectrum KC-1988-2527-27
Wiley ID 1221216