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Dopac-tfe-di-hfb

View entire compound with spectra: 1 MS (GC)

Dopac-tfe-di-hfb
SpectraBase Compound ID FQoK6sMLs17
InChI InChI=1S/C18H7F17O6/c19-11(20,21)4-41-10(40)12(5-1-2-6(36)7(37)3-5,8(38)13(22,23)15(26,27)17(30,31)32)9(39)14(24,25)16(28,29)18(33,34)35/h1-3,36-37H,4H2
InChIKey FOWHHDKDUHWVIB-UHFFFAOYSA-N
Mol Weight 642.22 g/mol
Molecular Formula C18H7F17O6
Exact Mass 641.997117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89ThoAoOYJa
Name Dopac-tfe-di-hfb
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H7F17O6
InChI InChI=1S/C18H7F17O6/c19-11(20,21)4-41-10(40)12(5-1-2-6(36)7(37)3-5,8(38)13(22,23)15(26,27)17(30,31)32)9(39)14(24,25)16(28,29)18(33,34)35/h1-3,36-37H,4H2
InChIKey FOWHHDKDUHWVIB-UHFFFAOYSA-N
Molecular Weight 642.221 g/mol
SMILES Oc1cc(ccc1O)C(C(C(C(C(F)(F)F)(F)F)(F)F)=O)(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(OCC(F)(F)F)=O
SPLASH splash10-014l-9400221000-8191c5ed3fa2bb38a70a
Source of Spectrum KO-14-204-8
Synonyms 2,2,2-trifluoroethyl 2-(3,4-dihydroxyphenyl)-4,4,5,5,6,6,6-heptafluoro-2-(2,2,3,3,4,4,4-heptafluorobutanoyl)-3-oxohexanoate Trifluoroethyl-di(heptafluorobutanoyl) (3,4-dihydroxyphenyl)acetate
Wiley ID 1412685