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3'-Pentafluoropropionyloxy-5,6,7,4'-tetramethoxyflavone

View entire compound with spectra: 1 NMR

3'-Pentafluoropropionyloxy-5,6,7,4'-tetramethoxyflavone
SpectraBase Compound ID Lf6rHqBJcQ0
InChI InChI=1S/C22H17F5O8/c1-30-12-6-5-10(7-14(12)35-20(29)21(23,24)22(25,26)27)13-8-11(28)17-15(34-13)9-16(31-2)18(32-3)19(17)33-4/h5-9H,1-4H3
InChIKey MSDGKLOBUAWBQX-UHFFFAOYSA-N
Mol Weight 504.36 g/mol
Molecular Formula C22H17F5O8
Exact Mass 504.084358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0cfRI8aweb
Name 3'-Pentafluoropropionyloxy-5,6,7,4'-tetramethoxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 504.084358314 u
Formula C22H17F5O8
InChI InChI=1S/C22H17F5O8/c1-30-12-6-5-10(7-14(12)35-20(29)21(23,24)22(25,26)27)13-8-11(28)17-15(34-13)9-16(31-2)18(32-3)19(17)33-4/h5-9H,1-4H3
InChIKey MSDGKLOBUAWBQX-UHFFFAOYSA-N
Molecular Weight 504.362 g/mol
SMILES C1=C(C=CC(=C1OC(C(C(F)(F)F)(F)F)=O)OC)C1=CC(C2=C(C(=C(C=C2O1)OC)OC)OC)=O