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

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

Hexanenitrile, 5-hydroxy-6-(phenylthio)-
SpectraBase Compound ID HbTW7w3lvNz
InChI InChI=1S/C12H15NOS/c13-9-5-4-6-11(14)10-15-12-7-2-1-3-8-12/h1-3,7-8,11,14H,4-6,10H2
InChIKey JDKODTFRNVQXAG-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 EVAI5e0aui2
Name Hexanenitrile, 5-hydroxy-6-(phenylthio)-
CAS Registry Number 108078-57-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c13-9-5-4-6-11(14)10-15-12-7-2-1-3-8-12/h1-3,7-8,11,14H,4-6,10H2
InChIKey JDKODTFRNVQXAG-UHFFFAOYSA-N
Molecular Weight 221.318 g/mol
SMILES OC(CSc1ccccc1)CCCC#N
SPLASH splash10-00di-0940000000-61bcc4fbf9e1bb8cb6db
Source of Spectrum KC-1988-2527-26
Synonyms 5-hydroxy-6-(phenylsulfanyl)hexanenitrile 5-Hydroxy-6-(phenylthio)hexanenitrile
Wiley ID 1221215