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

View entire compound with spectra: 1 MS (GC)

Hexanenitrile, 5-hydroxy-6-(propylthio)-
SpectraBase Compound ID IDCDmKqG7Hr
InChI InChI=1S/C9H17NOS/c1-2-7-12-8-9(11)5-3-4-6-10/h9,11H,2-5,7-8H2,1H3
InChIKey KYPSMGGMTMTNSU-UHFFFAOYSA-N
Mol Weight 187.3 g/mol
Molecular Formula C9H17NOS
Exact Mass 187.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HWSc9XOHhp
Name Hexanenitrile, 5-hydroxy-6-(propylthio)-
CAS Registry Number 108078-61-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NOS
InChI InChI=1S/C9H17NOS/c1-2-7-12-8-9(11)5-3-4-6-10/h9,11H,2-5,7-8H2,1H3
InChIKey KYPSMGGMTMTNSU-UHFFFAOYSA-N
Molecular Weight 187.301 g/mol
SMILES OC(CCCC#N)CSCCC
SPLASH splash10-0a4i-0900000000-6a8dbf4a17ef5ae20d75
Source of Spectrum KC-1988-2528-29
Synonyms 5-hydroxy-6-(propylsulfanyl)hexanenitrile 5-Hydroxy-6-(propylthio)hexanenitrile
Wiley ID 1183728