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3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1H-indole
SpectraBase Compound ID LYrfmXqPCyn
InChI InChI=1S/C15H8F3N3O4/c16-15(17,18)8-5-12(20(22)23)14(13(6-8)21(24)25)10-7-19-11-4-2-1-3-9(10)11/h1-7,19H
InChIKey DEDIBPRJGAOTTO-UHFFFAOYSA-N
Mol Weight 351.24 g/mol
Molecular Formula C15H8F3N3O4
Exact Mass 351.04669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFT56CyeF9Q
Name 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1H-indole
Alternate Name(s) 3-(2',7'-Dinitro-4'-trifluoromethylphenyl)indole
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Formula C15H8F3N3O4
InChI InChI=1S/C15H8F3N3O4/c16-15(17,18)8-5-12(20(22)23)14(13(6-8)21(24)25)10-7-19-11-4-2-1-3-9(10)11/h1-7,19H
InChIKey DEDIBPRJGAOTTO-UHFFFAOYSA-N
Molecular Weight 351.241 g/mol
SMILES [nH]1c2c(c(c1)-c1c(N(=O)=O)cc(C(F)(F)F)cc1N(=O)=O)cccc2
SPLASH splash10-0udj-0629000000-90d2b1b6e143e10f0a47
Source of Spectrum O1-60-83-7
Wiley ID 1591900