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5,7-Dimethoxyapigeninidin, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

5,7-Dimethoxyapigeninidin, o-heptafluorobutyryl-
SpectraBase Compound ID C41c5U0oW2P
InChI InChI=1S/C21H15F7O5/c1-30-13-9-16(31-2)14-7-8-15(33-17(14)10-13)11-3-5-12(6-4-11)32-18(29)19(22,23)20(24,25)21(26,27)28/h3-10,15H,1-2H3
InChIKey RJEVKCOFMAOAIU-UHFFFAOYSA-N
Mol Weight 480.33 g/mol
Molecular Formula C21H15F7O5
Exact Mass 480.080771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GW9aXSQAvJ6
Name 5,7-Dimethoxyapigeninidin, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 480.080770719 u
Formula C21H15F7O5
InChI InChI=1S/C21H15F7O5/c1-30-13-9-16(31-2)14-7-8-15(33-17(14)10-13)11-3-5-12(6-4-11)32-18(29)19(22,23)20(24,25)21(26,27)28/h3-10,15H,1-2H3
InChIKey RJEVKCOFMAOAIU-UHFFFAOYSA-N
Molecular Weight 480.335 g/mol
SMILES C1(=CC(=C2C(=C1)OC(C=C2)C1=CC=C(C=C1)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)OC)OC