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Wogonin, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

Wogonin, bis(pentafluoropropionate)
SpectraBase Compound ID sJ7tyKvSbA
InChI InChI=1S/C22H10F10O7/c1-36-15-13(39-18(35)20(25,26)22(30,31)32)8-12(38-17(34)19(23,24)21(27,28)29)14-10(33)7-11(37-16(14)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey MXMUTHAFRWCDHC-UHFFFAOYSA-N
Mol Weight 576.3 g/mol
Molecular Formula C22H10F10O7
Exact Mass 576.026684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ah8ciFPrxFm
Name Wogonin, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 576.026684285 u
Formula C22H10F10O7
InChI InChI=1S/C22H10F10O7/c1-36-15-13(39-18(35)20(25,26)22(30,31)32)8-12(38-17(34)19(23,24)21(27,28)29)14-10(33)7-11(37-16(14)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey MXMUTHAFRWCDHC-UHFFFAOYSA-N
Molecular Weight 576.299 g/mol
SMILES C1(=O)C2=C(C(OC)=C(C=C2OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)OC(=C1)C1=CC=CC=C1