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3,4-Dihydroxybenzoic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID 8bcQgsXHbIT
InChI InChI=1S/C14H6F10O6/c15-9(16)12(17,18)4-28-8(25)5-1-2-6(29-10(26)13(19,20)21)7(3-5)30-11(27)14(22,23)24/h1-3,9H,4H2
InChIKey FMWVAAXDFXDGLK-UHFFFAOYSA-N
Mol Weight 460.18 g/mol
Molecular Formula C14H6F10O6
Exact Mass 460.00047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6envP7DmUeQ
Name 3,4-Dihydroxybenzoic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.000469537 u
Formula C14H6F10O6
InChI InChI=1S/C14H6F10O6/c15-9(16)12(17,18)4-28-8(25)5-1-2-6(29-10(26)13(19,20)21)7(3-5)30-11(27)14(22,23)24/h1-3,9H,4H2
InChIKey FMWVAAXDFXDGLK-UHFFFAOYSA-N
Molecular Weight 460.180 g/mol
SMILES C1=C(C(=CC=C1C(OCC(C(F)F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O