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5,8-Dihydroxy-1,4-naphthoquinone, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

5,8-Dihydroxy-1,4-naphthoquinone, bis(pentafluoropropionate)
SpectraBase Compound ID 2FFfRBnzTC9
InChI InChI=1S/C16H4F10O6/c17-13(18,15(21,22)23)11(29)31-7-3-4-8(10-6(28)2-1-5(27)9(7)10)32-12(30)14(19,20)16(24,25)26/h1-4H
InChIKey PIGDXUNMKKBMRO-UHFFFAOYSA-N
Mol Weight 482.19 g/mol
Molecular Formula C16H4F10O6
Exact Mass 481.984819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ez0VORQXRvr
Name 5,8-Dihydroxy-1,4-naphthoquinone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 481.984819473 u
Formula C16H4F10O6
InChI InChI=1S/C16H4F10O6/c17-13(18,15(21,22)23)11(29)31-7-3-4-8(10-6(28)2-1-5(27)9(7)10)32-12(30)14(19,20)16(24,25)26/h1-4H
InChIKey PIGDXUNMKKBMRO-UHFFFAOYSA-N
Molecular Weight 482.186 g/mol
SMILES C1(=O)C2=C(C(OC(C(C(F)(F)F)(F)F)=O)=CC=C2OC(C(C(F)(F)F)(F)F)=O)C(C=C1)=O