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4-methylsulphonylbut-3-enyl isothiocyanate
SpectraBase Compound ID LJmZbRB1nkW
InChI InChI=1S/C6H9NO2S2/c1-11(8,9)5-3-2-4-7-6-10/h3,5H,2,4H2,1H3
InChIKey MRYHGPUCPMWCPH-UHFFFAOYSA-N
Mol Weight 191.26 g/mol
Molecular Formula C6H9NO2S2
Exact Mass 191.007471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DX27OdZQuu9
Name 4-methylsulphonylbut-3-enyl isothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NO2S2
InChI InChI=1S/C6H9NO2S2/c1-11(8,9)5-3-2-4-7-6-10/h3,5H,2,4H2,1H3
InChIKey MRYHGPUCPMWCPH-UHFFFAOYSA-N
Instrument Name AEI MS-902
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2740310606
Molecular Weight 191.263 g/mol
SMILES CS(C=CCCN=C=S)(=O)=O
SPLASH splash10-00ds-9000000000-da006c1237bacb114899
Source of Spectrum SFA-31-551-21
Wiley ID 1856622