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1,2-Dimethyl-3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole
SpectraBase Compound ID 4tvlVieeJGy
InChI InChI=1S/C13H15N3O4/c1-9-13(10(7-15(17)18)8-16(19)20)11-5-3-4-6-12(11)14(9)2/h3-6,10H,7-8H2,1-2H3
InChIKey DVUFINIVOVSOOY-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C13H15N3O4
Exact Mass 277.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IACOb1b7lGi
Name 1,2-Dimethyl-3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole
Alternate Name(s) 1,2-Dimethyl-3-[2-nitro-1-(nitromethyl)ethyl]indole 3-(1,3-dinitropropan-2-yl)-1,2-dimethyl-indole
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Formula C13H15N3O4
InChI InChI=1S/C13H15N3O4/c1-9-13(10(7-15(17)18)8-16(19)20)11-5-3-4-6-12(11)14(9)2/h3-6,10H,7-8H2,1-2H3
InChIKey DVUFINIVOVSOOY-UHFFFAOYSA-N
Molecular Weight 277.280 g/mol
SMILES c1(c(c2ccccc2[n]1C)C(CN(=O)=O)CN(=O)=O)C
SPLASH splash10-03mr-0920000000-717862fd54197e27bfa1
Source of Spectrum D8-327-109-3
Wiley ID 1515104