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1-(Methylthio)-1-n-propylamino-2-nitroethylene
SpectraBase Compound ID GuvcMa3lAa7
InChI InChI=1S/C6H12N2O2S/c1-3-4-7-6(11-2)5-8(9)10/h5,7H,3-4H2,1-2H3/b6-5-
InChIKey OWCCAJROUOTMOE-WAYWQWQTSA-N
Mol Weight 176.23 g/mol
Molecular Formula C6H12N2O2S
Exact Mass 176.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYXZ2IqtSW7
Name 1-(Methylthio)-1-n-propylamino-2-nitroethylene
Alternate Name(s) (Z)-1-(methylsulfanyl)-2-nitro-N-propylethenamine N-[(Z)-1-(methylsulfanyl)-2-nitroethenyl]-N-propylamine
Comments Less than 3 mono-isotopic peaks
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Formula C6H12N2O2S
InChI InChI=1S/C6H12N2O2S/c1-3-4-7-6(11-2)5-8(9)10/h5,7H,3-4H2,1-2H3/b6-5-
InChIKey OWCCAJROUOTMOE-WAYWQWQTSA-N
Molecular Weight 176.234 g/mol
SMILES N(\C(=C\N(=O)=O)SC)CCC
SPLASH splash10-00fr-9700000000-b7da0dc94aadfcf7c985
Source of Spectrum F-49-2106-5
Wiley ID 1171853