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2-Methylthio-1-nitrobut-1-ene
SpectraBase Compound ID 9x0v2rlcZpx
InChI InChI=1S/C5H9NO2S/c1-3-5(9-2)4-6(7)8/h4H,3H2,1-2H3/b5-4-
InChIKey JTRSXEQKMOBTQL-PLNGDYQASA-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 HUcZjZBxjov
Name 2-Methylthio-1-nitrobut-1-ene
Alternate Name(s) (1Z)-2-(methylsulfanyl)-1-nitro-1-butene (Z)-1-ethyl-2-nitroethenyl methyl sulfide
Comments Less than 3 mono-isotopic peaks
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Formula C5H9NO2S
InChI InChI=1S/C5H9NO2S/c1-3-5(9-2)4-6(7)8/h4H,3H2,1-2H3/b5-4-
InChIKey JTRSXEQKMOBTQL-PLNGDYQASA-N
Molecular Weight 147.192 g/mol
SMILES CS\C(=C/N(=O)=O)CC
SPLASH splash10-0f6t-0900000000-d0ca39599baf2706110b
Source of Spectrum F-54-12979-2
Wiley ID 809497