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Butanenitrile, 4-(methylthio)-
SpectraBase Compound ID Kdqm1TyXypK
InChI InChI=1S/C5H9NS/c1-7-5-3-2-4-6/h2-3,5H2,1H3
InChIKey JPWPMBYFDCHLKL-UHFFFAOYSA-N
Mol Weight 115.19 g/mol
Molecular Formula C5H9NS
Exact Mass 115.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIuaAaPdjkr
Name Butanenitrile, 4-(methylthio)-
Alternate Name(s) 4-(Methylthio)butanenitrile 4-(Methylsulfanyl)butanenitrile 4-(Methylthio)butyronitrile 3-(Methylthio)propyl cyanide 4-Methylthio butanenitrile 4-Methylthiobutyl nitrile 4-Methylsulfanylbutanenitrile
CAS Registry Number 59121-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NS
InChI InChI=1S/C5H9NS/c1-7-5-3-2-4-6/h2-3,5H2,1H3
InChIKey JPWPMBYFDCHLKL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.1163
Molecular Weight 115.194 g/mol
SMILES C(CCCSC)#N
SPLASH splash10-03xr-9200000000-6ea66a2b837bf4326e28
Source of Spectrum FF-18-150-150_2
Wiley ID 1775332