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1-Butene, 4-isothiocyanato-1-(methylthio)-
SpectraBase Compound ID DETckcAnrPB
InChI InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3+
InChIKey RYSPJKHYSHFYEB-HWKANZROSA-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 HVbqSXPfCy9
Name 1-Butene, 4-isothiocyanato-1-(methylthio)-
Alternate Name(s) (1E)-4-Isothiocyanato-1-(methylsulfanyl)-1-butene (E)-4-isothiocyanato-1-(methylthio)-1-butene (E)-4-isothiocyanato-1-(methylthio)but-1-ene 4-Methylthio-3-butenylisothiocyanate (E)-4-isothiocyanato-1-methylsulfanyl-but-1-ene 4-Isothiocyanato-1-(methylthio)-1-butene 4-Methylthio-3-butenyl isothiocyanate 1-Butene, 4-isothiocyanato-1-(methylthio)-, (1E)- 1-Butene, 4-isothiocyanato-1-(methylthio)-, (E)- Isothiocyanic acid, 4-(methylthio)-3-butenyl ester, (E)- Sulfide, 4-isothiocyanato-1-butenylmethyl, trans- (E)-4-Methylthio-3-butenyl isothiocyanate trans-4-Methylthio-3-butenylisothiocyanate (E)-(4-isothiocyanatobut-1-en-1-yl)(methyl)sulfane (E)-4-isothiocyanato-1-methylsulfanylbut-1-ene
CAS Registry Number 51598-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NS2
InChI InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3+
InChIKey RYSPJKHYSHFYEB-HWKANZROSA-N
Molecular Weight 159.265 g/mol
SMILES CS\C=C\CCN=C=S
SPLASH splash10-000j-9000000000-1e821ff9c18d325754af
Source of Spectrum AD-0-560-0
Wiley ID 12434