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4',7-Dimethoxy-3-(4-phenoxybutoxy)flavone

View entire compound with spectra: 1 NMR, and 1 FTIR

4',7-Dimethoxy-3-(4-phenoxybutoxy)flavone
SpectraBase Compound ID I5IRpGoId0K
InChI InChI=1S/C27H26O6/c1-29-20-12-10-19(11-13-20)26-27(25(28)23-15-14-22(30-2)18-24(23)33-26)32-17-7-6-16-31-21-8-4-3-5-9-21/h3-5,8-15,18H,6-7,16-17H2,1-2H3
InChIKey IBRHSTMGCUIFMK-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C27H26O6
Exact Mass 446.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWrj1oMGY8W
Name 4',7-Dimethoxy-3-(4-phenoxybutoxy)flavone
Comments Computed using HOSE algorithm
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Exact Mass 446.172938551 u
Formula C27H26O6
InChI InChI=1S/C27H26O6/c1-29-20-12-10-19(11-13-20)26-27(25(28)23-15-14-22(30-2)18-24(23)33-26)32-17-7-6-16-31-21-8-4-3-5-9-21/h3-5,8-15,18H,6-7,16-17H2,1-2H3
InChIKey IBRHSTMGCUIFMK-UHFFFAOYSA-N
Molecular Weight 446.499 g/mol
SMILES C1=CC(=CC2=C1C(=O)C(=C(O2)C=1C=CC(=CC1)OC)OCCCCOC=1C=CC=CC1)OC