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

View entire compound with spectra: 1 NMR

3'-Trifluoroacetyloxy-5,6,7,4'-tetramethoxyflavone
SpectraBase Compound ID 8k4NyYc5OSs
InChI InChI=1S/C21H17F3O8/c1-27-12-6-5-10(7-14(12)32-20(26)21(22,23)24)13-8-11(25)17-15(31-13)9-16(28-2)18(29-3)19(17)30-4/h5-9H,1-4H3
InChIKey YRMTYYCPZHUGNE-UHFFFAOYSA-N
Mol Weight 454.35 g/mol
Molecular Formula C21H17F3O8
Exact Mass 454.087552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXH6vQw7lKt
Name 3'-Trifluoroacetyloxy-5,6,7,4'-tetramethoxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 454.087551988 u
Formula C21H17F3O8
InChI InChI=1S/C21H17F3O8/c1-27-12-6-5-10(7-14(12)32-20(26)21(22,23)24)13-8-11(25)17-15(31-13)9-16(28-2)18(29-3)19(17)30-4/h5-9H,1-4H3
InChIKey YRMTYYCPZHUGNE-UHFFFAOYSA-N
Molecular Weight 454.354 g/mol
SMILES C1=C(C=CC(=C1OC(C(F)(F)F)=O)OC)C1=CC(C2=C(C(=C(C=C2O1)OC)OC)OC)=O