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

*Links on SpectraBase are not permalinks.
Pentanenitrile, 5-(methylthio)-
SpectraBase Compound ID 9VQeCdVC4Bv
InChI InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3
InChIKey XPUDGEZWSNPCMM-UHFFFAOYSA-N
Mol Weight 129.22 g/mol
Molecular Formula C6H11NS
Exact Mass 129.061221 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 LNiFnphLWW1
Name Pentanenitrile, 5-(methylthio)-
Alternate Name(s) 5-(Methylthio)pentanenitrile 5-(Methylsulfanyl)pentanenitrile 1-Cyano-4-(methylthio)butane 5-(Methylthio)valeronitrile 4-(Methylthio)butyl cyanide 5-Methylthiopentanonitrile 5-Methylthiopentyl nitrile 5-Methylsulfanylpentanenitrile
CAS Registry Number 59121-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11NS
InChI InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3
InChIKey XPUDGEZWSNPCMM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.1163
Molecular Weight 129.221 g/mol
SMILES C(CCCCSC)#N
SPLASH splash10-03di-9200000000-16c01e9507fcb28c9c39
Source of Spectrum FF-18-150-150_4
Wiley ID 1775333