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2-[4-(Dimethylamino)-3-(perfluoropropyl)anilino]-1,4-naphthoquinone
SpectraBase Compound ID Jj3LtlQarsH
InChI InChI=1S/C21H15F7N2O2/c1-30(2)16-8-7-11(9-14(16)19(22,23)20(24,25)21(26,27)28)29-15-10-17(31)12-5-3-4-6-13(12)18(15)32/h3-10,29H,1-2H3
InChIKey BMTFAKZNVFQEAP-UHFFFAOYSA-N
Mol Weight 460.35 g/mol
Molecular Formula C21H15F7N2O2
Exact Mass 460.102175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8nyf3dyCc3
Name 2-[4-(Dimethylamino)-3-(perfluoropropyl)anilino]-1,4-naphthoquinone
Alternate Name(s) 2-[4-(dimethylamino)-3-(1,1,2,2,3,3,3-heptafluoropropyl)anilino]naphthoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C21H15F7N2O2
InChI InChI=1S/C21H15F7N2O2/c1-30(2)16-8-7-11(9-14(16)19(22,23)20(24,25)21(26,27)28)29-15-10-17(31)12-5-3-4-6-13(12)18(15)32/h3-10,29H,1-2H3
InChIKey BMTFAKZNVFQEAP-UHFFFAOYSA-N
Molecular Weight 460.352 g/mol
SMILES N(C1=CC(=O)c2c(C1=O)cccc2)c1cc(C(C(C(F)(F)F)(F)F)(F)F)c(cc1)N(C)C
SPLASH splash10-03di-0000900000-064ed1093da932f92371
Source of Spectrum AJ-68-1049-11
Wiley ID 773154