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1,4-Bis(perfluorooctyl)-2,5-cyclohexadiene-1,4-diol

View entire compound with spectra: 1 MS (GC)

1,4-Bis(perfluorooctyl)-2,5-cyclohexadiene-1,4-diol
SpectraBase Compound ID 1kgvwwN8si6
InChI InChI=1S/C22H6F34O2/c23-7(24,11(31,32)15(39,40)19(47,48)49)9(27,28)13(35,36)17(43,44)21(53,54)57-5-1-2-6(4-3-5)58-22(55,56)18(45,46)14(37,38)10(29,30)8(25,26)12(33,34)16(41,42)20(50,51)52/h1-6H
InChIKey CCFXREJSCNCJRR-UHFFFAOYSA-N
Mol Weight 948.23 g/mol
Molecular Formula C22H6F34O2
Exact Mass 947.982487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvpDlRSOk34
Name 1,4-Bis(perfluorooctyl)-2,5-cyclohexadiene-1,4-diol
Alternate Name(s) 3,6-bis[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxy]cyclohexa-1,4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H6F34O2
InChI InChI=1S/C22H6F34O2/c23-7(24,11(31,32)15(39,40)19(47,48)49)9(27,28)13(35,36)17(43,44)21(53,54)57-5-1-2-6(4-3-5)58-22(55,56)18(45,46)14(37,38)10(29,30)8(25,26)12(33,34)16(41,42)20(50,51)52/h1-6H
InChIKey CCFXREJSCNCJRR-UHFFFAOYSA-N
Molecular Weight 948.234 g/mol
SMILES C(C(C(C(C(OC1C=CC(OC(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=C1)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-014i-0300090002-fddfaae80e6c4f37bd78
Source of Spectrum F-48-8367-24
Wiley ID 1418233