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3,5,7-tri(2-Methylbutyl)oxy-4'-methoxyflavone

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3,5,7-tri(2-Methylbutyl)oxy-4'-methoxyflavone
SpectraBase Compound ID 2FHuDcqaEUw
InChI InChI=1S/C31H42O6/c1-8-20(4)17-34-25-15-26(35-18-21(5)9-2)28-27(16-25)37-30(23-11-13-24(33-7)14-12-23)31(29(28)32)36-19-22(6)10-3/h11-16,20-22H,8-10,17-19H2,1-7H3
InChIKey XHLQROHSEUFCIM-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C31H42O6
Exact Mass 510.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9daGmHTbtlq
Name 3,5,7-tri(2-Methylbutyl)oxy-4'-methoxyflavone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.298139066 u
Formula C31H42O6
InChI InChI=1S/C31H42O6/c1-8-20(4)17-34-25-15-26(35-18-21(5)9-2)28-27(16-25)37-30(23-11-13-24(33-7)14-12-23)31(29(28)32)36-19-22(6)10-3/h11-16,20-22H,8-10,17-19H2,1-7H3
InChIKey XHLQROHSEUFCIM-UHFFFAOYSA-N
Molecular Weight 510.671 g/mol
SMILES C1=CC(OC)=CC=C1C1=C(OCC(CC)C)C(C2=C(C=C(C=C2OCC(CC)C)OCC(CC)C)O1)=O