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4-Methylthiobut-3-enyl isothiocyanate
SpectraBase Compound ID JuKWs4st8vI
InChI InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3
InChIKey RYSPJKHYSHFYEB-UHFFFAOYSA-N
Mol Weight 159.26 g/mol
Molecular Formula C6H9NS2
Exact Mass 159.017642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ivd15pyRlRX
Name 4-Methylthiobut-3-enyl isothiocyanate
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 159.017641642 u
Formula C6H9NS2
InChI InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3
InChIKey RYSPJKHYSHFYEB-UHFFFAOYSA-N
Instrument Name AEI MS-902
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2740310606
Number of Peaks 9
SMILES CSC=CCCN=C=S
SPLASH splash10-052s-9200000000-448d936332d3ed256b69
Source of Spectrum SFA-31-551-14 (DOI: 10.1002/jsfa.2740310606)
Wiley ID 1856616