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Wogonin, bis(heptafluorobutyrate)

View entire compound with spectra: 1 NMR

Wogonin, bis(heptafluorobutyrate)
SpectraBase Compound ID IkWQmBKGsuN
InChI InChI=1S/C24H10F14O7/c1-42-15-13(45-18(41)20(27,28)22(31,32)24(36,37)38)8-12(44-17(40)19(25,26)21(29,30)23(33,34)35)14-10(39)7-11(43-16(14)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey HSKXPSCQZWFZQZ-UHFFFAOYSA-N
Mol Weight 676.31 g/mol
Molecular Formula C24H10F14O7
Exact Mass 676.020297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fv1IovALJ8Q
Name Wogonin, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
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Exact Mass 676.020296937 u
Formula C24H10F14O7
InChI InChI=1S/C24H10F14O7/c1-42-15-13(45-18(41)20(27,28)22(31,32)24(36,37)38)8-12(44-17(40)19(25,26)21(29,30)23(33,34)35)14-10(39)7-11(43-16(14)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey HSKXPSCQZWFZQZ-UHFFFAOYSA-N
Molecular Weight 676.315 g/mol
SMILES C1(=O)C2=C(C(OC)=C(C=C2OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=C1)C1=CC=CC=C1