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2-Methyl-5-(perfluorooctyl)-1,4-benzoquinone
SpectraBase Compound ID 61U2ZNchTQ7
InChI InChI=1S/C15H5F17O2/c1-4-2-7(34)5(3-6(4)33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-3H,1H3
InChIKey NKOPKINZYZRKEU-UHFFFAOYSA-N
Mol Weight 540.18 g/mol
Molecular Formula C15H5F17O2
Exact Mass 540.001808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sPP13xwuQk
Name 2-Methyl-5-(perfluorooctyl)-1,4-benzoquinone
Alternate Name(s) 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-methylbenzo-1,4-quinone
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Formula C15H5F17O2
InChI InChI=1S/C15H5F17O2/c1-4-2-7(34)5(3-6(4)33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-3H,1H3
InChIKey NKOPKINZYZRKEU-UHFFFAOYSA-N
Molecular Weight 540.176 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C1=CC(=O)C(=CC1=O)C)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0006-0900030000-0642bae00c111ad5f4c5
Source of Spectrum F-48-8367-15
Wiley ID 1404516