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4-Acetoxy-4-perfluorooctyl-2,5-cyclohexadien-1-one

View entire compound with spectra: 1 MS (GC)

4-Acetoxy-4-perfluorooctyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID IFug5abVOui
InChI InChI=1S/C16H7F17O3/c1-6(34)36-8(4-2-7(35)3-5-8)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/h2-5H,1H3
InChIKey VZSYTVKWPVWETK-UHFFFAOYSA-N
Mol Weight 570.2 g/mol
Molecular Formula C16H7F17O3
Exact Mass 570.012373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMZdgK02o0e
Name 4-Acetoxy-4-perfluorooctyl-2,5-cyclohexadien-1-one
Alternate Name(s) 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-oxo-2,5-cyclohexadien-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H7F17O3
InChI InChI=1S/C16H7F17O3/c1-6(34)36-8(4-2-7(35)3-5-8)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/h2-5H,1H3
InChIKey VZSYTVKWPVWETK-UHFFFAOYSA-N
Molecular Weight 570.202 g/mol
SMILES C(C(C(C(C1(C=CC(C=C1)=O)OC(=O)C)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-00di-0900210000-d9580cbf1839556d1517
Source of Spectrum AJ-64-847-2
Wiley ID 1407658