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2,4-Diacetoxy-1-t-butyl-5-perfluorooctylbenzene

View entire compound with spectra: 2 MS (GC)

2,4-Diacetoxy-1-t-butyl-5-perfluorooctylbenzene
SpectraBase Compound ID AxMKOAJxNBa
InChI InChI=1S/C22H17F17O4/c1-8(40)42-12-7-13(43-9(2)41)11(6-10(12)14(3,4)5)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h6-7H,1-5H3
InChIKey JSQAVILZBGVFGM-UHFFFAOYSA-N
Mol Weight 668.35 g/mol
Molecular Formula C22H17F17O4
Exact Mass 668.085538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3JSS5MvcEk
Name 2,4-Diacetoxy-1-t-butyl-5-perfluorooctylbenzene
Alternate Name(s) 1-t-Butyl-2,4-diacetoxy-5-perfluorooctylbenzene 5-(acetyloxy)-2-tert-butyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17F17O4
InChI InChI=1S/C22H17F17O4/c1-8(40)42-12-7-13(43-9(2)41)11(6-10(12)14(3,4)5)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h6-7H,1-5H3
InChIKey JSQAVILZBGVFGM-UHFFFAOYSA-N
Molecular Weight 668.347 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(c1c(cc(c(c1)C(C)(C)C)OC(=O)C)OC(=O)C)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-001i-0000093000-5049f19ab9ca9900b0f9
Source of Spectrum AJ-64-848-4
Wiley ID 770993