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

View entire compound with spectra: 1 MS (GC)

4-Hydroxy-2-methyl-4-perfluorooctyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID FycSrwwBNuh
InChI InChI=1S/C15H7F17O2/c1-5-4-7(34,3-2-6(5)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/h2-4,34H,1H3
InChIKey ROBVOHWHAIQLPQ-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 E9r543eMMzb
Name 4-Hydroxy-2-methyl-4-perfluorooctyl-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H7F17O2
InChI InChI=1S/C15H7F17O2/c1-5-4-7(34,3-2-6(5)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/h2-4,34H,1H3
InChIKey ROBVOHWHAIQLPQ-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=C(C)C(C=C1)=O
SPLASH splash10-00di-0900000000-bd04d3826175e144b254
Source of Spectrum AJ-64-846-1
Synonyms 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-hydroxy-2-methyl-2,5-cyclohexadien-1-one
Wiley ID 1404768