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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 7W0Ltk6UVb6
Name Butanenitrile, 4-(methylthio)-
CAS Registry Number 59121-24-3
Classification Nitriles
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 115.045570468 u
Formula C5H9NS
InChI InChI=1S/C5H9NS/c1-7-5-3-2-4-6/h2-3,5H2,1H3
InChIKey JPWPMBYFDCHLKL-UHFFFAOYSA-N
Molecular Weight 115.194 g/mol
Number of Peaks 11
SMILES C(CCCSC)#N
SPLASH splash10-03xr-9200000000-6ea66a2b837bf4326e28
Source of Spectrum FF-18-150-150_2 (DOI: 10.1002/ffj.1163)
Synonyms 4-(Methylthio)butanenitrile 4-(Methylsulfanyl)butanenitrile 4-(Methylthio)butyronitrile 3-(Methylthio)propyl cyanide 4-Methylthio butanenitrile 4-Methylthiobutyl nitrile 4-Methylsulfanylbutanenitrile
Wiley ID 1775332