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4-(Methylsulphonyl)butanenitrile
SpectraBase Compound ID 3EUvIJjkMRH
InChI InChI=1S/C5H9NO2S/c1-9(7,8)5-3-2-4-6/h2-3,5H2,1H3
InChIKey GFRFYHPRAPQIIX-UHFFFAOYSA-N
Mol Weight 147.19 g/mol
Molecular Formula C5H9NO2S
Exact Mass 147.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwwgwPXRZEd
Name 1-cyano-3-methylsulphonylpropane
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 147.035399706 u
Formula C5H9NO2S
InChI InChI=1S/C5H9NO2S/c1-9(7,8)5-3-2-4-6/h2-3,5H2,1H3
InChIKey GFRFYHPRAPQIIX-UHFFFAOYSA-N
Instrument Name AEI MS-902
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2740310606
Molecular Weight 147.192 g/mol
Number of Peaks 10
SMILES CS(CCCC#N)(=O)=O
SPLASH splash10-006x-9000000000-b61a50be96f5716a00f7
Source of Spectrum SFA-31-551-19 (DOI: 10.1002/jsfa.2740310606)
Wiley ID 1856620