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3,5-Dimethyl-2-(perfluorooctyl)-1,4-benzoquinone
SpectraBase Compound ID 3jGlHiyCtnN
InChI InChI=1S/C16H7F17O2/c1-4-3-6(34)7(5(2)8(4)35)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h3H,1-2H3
InChIKey QQTAVJLGCXEJTC-UHFFFAOYSA-N
Mol Weight 554.2 g/mol
Molecular Formula C16H7F17O2
Exact Mass 554.017458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4P06m0HZuYV
Name 3,5-Dimethyl-2-(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)-3,5-dimethylbenzo-1,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H7F17O2
InChI InChI=1S/C16H7F17O2/c1-4-3-6(34)7(5(2)8(4)35)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h3H,1-2H3
InChIKey QQTAVJLGCXEJTC-UHFFFAOYSA-N
Molecular Weight 554.203 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C1=C(C(=O)C(=CC1=O)C)C)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0a4i-0900000000-5bc8da8f9dc457986232
Source of Spectrum F-48-8367-15
Wiley ID 1406111