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3,4-Dihydroxyphenylacetic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID KYIFjRteY8k
InChI InChI=1S/C15H8F10O6/c16-10(17)13(18,19)5-29-9(26)4-6-1-2-7(30-11(27)14(20,21)22)8(3-6)31-12(28)15(23,24)25/h1-3,10H,4-5H2
InChIKey HXSULEYSPHJKKV-UHFFFAOYSA-N
Mol Weight 474.21 g/mol
Molecular Formula C15H8F10O6
Exact Mass 474.01612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yKibZNdZc6
Name 3,4-Dihydroxyphenylacetic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.016119602 u
Formula C15H8F10O6
InChI InChI=1S/C15H8F10O6/c16-10(17)13(18,19)5-29-9(26)4-6-1-2-7(30-11(27)14(20,21)22)8(3-6)31-12(28)15(23,24)25/h1-3,10H,4-5H2
InChIKey HXSULEYSPHJKKV-UHFFFAOYSA-N
Molecular Weight 474.207 g/mol
SMILES C1=C(C=C(C(=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)CC(=O)OCC(C(F)F)(F)F