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2,5-Diacetoxy-1-methyl-3-(perfluorooctyl)benzene

View entire compound with spectra: 1 MS (GC)

2,5-Diacetoxy-1-methyl-3-(perfluorooctyl)benzene
SpectraBase Compound ID DIUNa0A9Egm
InChI InChI=1S/C19H11F17O4/c1-6-4-9(39-7(2)37)5-10(11(6)40-8(3)38)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4-5H,1-3H3
InChIKey QMNIZYKCOBDMGT-UHFFFAOYSA-N
Mol Weight 626.27 g/mol
Molecular Formula C19H11F17O4
Exact Mass 626.038588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ku3FQTW71Pj
Name 2,5-Diacetoxy-1-methyl-3-(perfluorooctyl)benzene
Alternate Name(s) 4-(acetyloxy)-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-methylphenyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H11F17O4
InChI InChI=1S/C19H11F17O4/c1-6-4-9(39-7(2)37)5-10(11(6)40-8(3)38)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4-5H,1-3H3
InChIKey QMNIZYKCOBDMGT-UHFFFAOYSA-N
Molecular Weight 626.266 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(c1c(c(C)cc(c1)OC(=O)C)OC(=O)C)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0006-0200090000-53c3e002d08546addb66
Source of Spectrum F-48-8365-0
Wiley ID 1411850