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

View entire compound with spectra: 1 NMR

3'-Heptafluorobutyryloxy-5,6,7,4'-tetramethoxyflavone
SpectraBase Compound ID CmrHBbxhsax
InChI InChI=1S/C23H17F7O8/c1-33-12-6-5-10(7-14(12)38-20(32)21(24,25)22(26,27)23(28,29)30)13-8-11(31)17-15(37-13)9-16(34-2)18(35-3)19(17)36-4/h5-9H,1-4H3
InChIKey JREPTUHYFMMZFB-UHFFFAOYSA-N
Mol Weight 554.37 g/mol
Molecular Formula C23H17F7O8
Exact Mass 554.081165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7w1YeMYUNF7
Name 3'-Heptafluorobutyryloxy-5,6,7,4'-tetramethoxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 554.081164640 u
Formula C23H17F7O8
InChI InChI=1S/C23H17F7O8/c1-33-12-6-5-10(7-14(12)38-20(32)21(24,25)22(26,27)23(28,29)30)13-8-11(31)17-15(37-13)9-16(34-2)18(35-3)19(17)36-4/h5-9H,1-4H3
InChIKey JREPTUHYFMMZFB-UHFFFAOYSA-N
Molecular Weight 554.370 g/mol
SMILES C1=C(C=CC(=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)C1=CC(C2=C(C(=C(C=C2O1)OC)OC)OC)=O