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4-Hydroxy-3-methyl-4-perfluorooctyl-2,5-cyclohexadien-1-one

View entire compound with spectra: 1 MS (GC)

4-Hydroxy-3-methyl-4-perfluorooctyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID LvJ8ZfkqNhS
InChI InChI=1S/C15H7F17O2/c1-5-4-6(33)2-3-7(5,34)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/h2-4,34H,1H3
InChIKey LRTKZYPMDYSRFT-UHFFFAOYSA-N
Mol Weight 542.19 g/mol
Molecular Formula C15H7F17O2
Exact Mass 542.017458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1y7CBBNEaif
Name 4-Hydroxy-3-methyl-4-perfluorooctyl-2,5-cyclohexadien-1-one
Alternate Name(s) 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-hydroxy-3-methyl-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H7F17O2
InChI InChI=1S/C15H7F17O2/c1-5-4-6(33)2-3-7(5,34)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/h2-4,34H,1H3
InChIKey LRTKZYPMDYSRFT-UHFFFAOYSA-N
Molecular Weight 542.192 g/mol
SMILES OC1(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=CC(C=C1)=O)C
SPLASH splash10-00di-0900000000-fff23f6f7bd8dcab54a7
Source of Spectrum AJ-64-846-1
Wiley ID 1404769