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3-[4-(p-Bromophenoxy)butoxy]-4',7-dimethoxyflavone

View entire compound with spectra: 2 NMR, and 1 FTIR

3-[4-(p-Bromophenoxy)butoxy]-4',7-dimethoxyflavone
SpectraBase Compound ID EFdiHJFsQX6
InChI InChI=1S/C27H25BrO6/c1-30-20-9-5-18(6-10-20)26-27(25(29)23-14-13-22(31-2)17-24(23)34-26)33-16-4-3-15-32-21-11-7-19(28)8-12-21/h5-14,17H,3-4,15-16H2,1-2H3
InChIKey VFMPPJDILUZIOI-UHFFFAOYSA-N
Mol Weight 525.4 g/mol
Molecular Formula C27H25BrO6
Exact Mass 524.083452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrorxnZFj2Y
Name 3-[4-(p-Bromophenoxy)butoxy]-4',7-dimethoxyflavone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.083451519 u
Formula C27H25BrO6
InChI InChI=1S/C27H25BrO6/c1-30-20-9-5-18(6-10-20)26-27(25(29)23-14-13-22(31-2)17-24(23)34-26)33-16-4-3-15-32-21-11-7-19(28)8-12-21/h5-14,17H,3-4,15-16H2,1-2H3
InChIKey VFMPPJDILUZIOI-UHFFFAOYSA-N
Molecular Weight 525.395 g/mol
SMILES C=12C=CC(=CC1OC(=C(C2=O)OCCCCOC=1C=CC(=CC1)Br)C=1C=CC(=CC1)OC)OC