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2-(4-Chloroanilino)-3-(perfluoropropyl)-1,4-naphthoquinone
SpectraBase Compound ID DLbr2QLAgT4
InChI InChI=1S/C19H9ClF7NO2/c20-9-5-7-10(8-6-9)28-14-13(17(21,22)18(23,24)19(25,26)27)15(29)11-3-1-2-4-12(11)16(14)30/h1-8,28H
InChIKey ZABQGEFBHKVGGS-UHFFFAOYSA-N
Mol Weight 451.73 g/mol
Molecular Formula C19H9ClF7NO2
Exact Mass 451.021003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Vj7D5CBq61
Name 2-(4-Chloroanilino)-3-(perfluoropropyl)-1,4-naphthoquinone
Alternate Name(s) 2-(4-Chloroanilino)-3-(1,1,2,2,3,3,3-heptafluoropropyl)naphthoquinone 2-(4-ChloroAnilino)-3-(perluoropropyl)-1,4-naphthoquinone
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Formula C19H9ClF7NO2
InChI InChI=1S/C19H9ClF7NO2/c20-9-5-7-10(8-6-9)28-14-13(17(21,22)18(23,24)19(25,26)27)15(29)11-3-1-2-4-12(11)16(14)30/h1-8,28H
InChIKey ZABQGEFBHKVGGS-UHFFFAOYSA-N
Molecular Weight 451.728 g/mol
SMILES N(C1=C(C(C(C(F)(F)F)(F)F)(F)F)C(c2c(cccc2)C1=O)=O)c1ccc(cc1)Cl
SPLASH splash10-0ik9-0009700000-b19af10f4ae53aa29398
Source of Spectrum AJ-68-1048-8
Wiley ID 773159