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4-(Methylthio)-1-butylamino-4-nitrobuta-1,3-diene
SpectraBase Compound ID 5XVi2ECnMAM
InChI InChI=1S/C9H16N2O2S/c1-3-4-7-10-8-5-6-9(14-2)11(12)13/h5-6,8,10H,3-4,7H2,1-2H3/b8-5+,9-6+
InChIKey URJFSHIOWGKOKW-XVYDYJIPSA-N
Mol Weight 216.3 g/mol
Molecular Formula C9H16N2O2S
Exact Mass 216.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hYilRXq2Xe
Name 4-(Methylthio)-1-butylamino-4-nitrobuta-1,3-diene
Alternate Name(s) (1E,3E)-N-butyl-4-(methylsulfanyl)-4-nitro-1,3-butadien-1-amine N-butyl-N-[(1E,3E)-4-(methylsulfanyl)-4-nitro-1,3-butadienyl]amine
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Formula C9H16N2O2S
InChI InChI=1S/C9H16N2O2S/c1-3-4-7-10-8-5-6-9(14-2)11(12)13/h5-6,8,10H,3-4,7H2,1-2H3/b8-5+,9-6+
InChIKey URJFSHIOWGKOKW-XVYDYJIPSA-N
Molecular Weight 216.299 g/mol
SMILES N(\C=C\C=C/(N(=O)=O)SC)CCCC
SPLASH splash10-00di-9600000000-c02680c7dd3d8a88852e
Source of Spectrum H-20-2334-2
Wiley ID 1215068