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2-Methylthio-1-nitrooct-1-ene
SpectraBase Compound ID EBoG2oQVFTJ
InChI InChI=1S/C9H17NO2S/c1-3-4-5-6-7-9(13-2)8-10(11)12/h8H,3-7H2,1-2H3/b9-8-
InChIKey SEZYWXCPUPOJES-HJWRWDBZSA-N
Mol Weight 203.3 g/mol
Molecular Formula C9H17NO2S
Exact Mass 203.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuI8VjyJDWC
Name 2-Methylthio-1-nitrooct-1-ene
Alternate Name(s) (1Z)-2-(methylsulfanyl)-1-nitro-1-octene (Z)-1-hexyl-2-nitroethenyl methyl sulfide
Comments Less than 3 mono-isotopic peaks
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Formula C9H17NO2S
InChI InChI=1S/C9H17NO2S/c1-3-4-5-6-7-9(13-2)8-10(11)12/h8H,3-7H2,1-2H3/b9-8-
InChIKey SEZYWXCPUPOJES-HJWRWDBZSA-N
Molecular Weight 203.300 g/mol
SMILES CS\C(=C/N(=O)=O)CCCCCC
SPLASH splash10-0udi-0790000000-b9732af0848474aa2b38
Source of Spectrum F-54-12979-2
Wiley ID 809494