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4-(Methylthio)-4-nitro-1-(pyrrolidin-1'-yl)buta-1,3-diene
SpectraBase Compound ID JATx4Ba4OKT
InChI InChI=1S/C9H14N2O2S/c1-14-9(11(12)13)5-4-8-10-6-2-3-7-10/h4-5,8H,2-3,6-7H2,1H3/b8-4+,9-5-
InChIKey FQIUBWDEBORQIQ-HXGSSHHBSA-N
Mol Weight 214.28 g/mol
Molecular Formula C9H14N2O2S
Exact Mass 214.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FueOHIaqeHi
Name 4-(Methylthio)-4-nitro-1-(pyrrolidin-1'-yl)buta-1,3-diene
Alternate Name(s) 1-((1E,3Z)-4-Methylsulfanyl-4-nitro-buta-1,3-dienyl)-pyrrolidine 1-[(1E,3Z)-4-(methylsulfanyl)-4-nitro-1,3-butadienyl]pyrrolidine Methyl (1Z,3E)-1-nitro-4-(1-pyrrolidinyl)-1,3-butadienyl sulfide
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Formula C9H14N2O2S
InChI InChI=1S/C9H14N2O2S/c1-14-9(11(12)13)5-4-8-10-6-2-3-7-10/h4-5,8H,2-3,6-7H2,1H3/b8-4+,9-5-
InChIKey FQIUBWDEBORQIQ-HXGSSHHBSA-N
Molecular Weight 214.283 g/mol
SMILES C1N(\C=C\C=C\(N(=O)=O)SC)CCC1
SPLASH splash10-00di-9600000000-025cdfafa73dd5db6b94
Source of Spectrum H-20-2334-2
Wiley ID 1213108