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

View entire compound with spectra: 1 MS (GC)

4-Acetoxy-4-perfluorohexyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID 3K5JRhfLmhw
InChI InChI=1S/C14H7F13O3/c1-6(28)30-8(4-2-7(29)3-5-8)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-5H,1H3
InChIKey QBUPHEDPKQEMSF-UHFFFAOYSA-N
Mol Weight 470.19 g/mol
Molecular Formula C14H7F13O3
Exact Mass 470.01876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64PojF4OutA
Name 4-Acetoxy-4-perfluorohexyl-2,5-cyclohexadien-1-one
Alternate Name(s) 4-Oxo-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2,5-cyclohexadien-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7F13O3
InChI InChI=1S/C14H7F13O3/c1-6(28)30-8(4-2-7(29)3-5-8)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-5H,1H3
InChIKey QBUPHEDPKQEMSF-UHFFFAOYSA-N
Molecular Weight 470.186 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C1(C=CC(C=C1)=O)OC(=O)C)(F)F)(F)F)(F)F
SPLASH splash10-0006-0900200000-2b975901ad949446af9f
Source of Spectrum AJ-64-847-2
Wiley ID 1392704