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8-Carboxy-3-methylflavone, 2-methylbutyl ester

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

8-Carboxy-3-methylflavone, 2-methylbutyl ester
SpectraBase Compound ID HBR5mOjz7Xh
InChI InChI=1S/C22H22O4/c1-4-14(2)13-25-22(24)18-12-8-11-17-19(23)15(3)20(26-21(17)18)16-9-6-5-7-10-16/h5-12,14H,4,13H2,1-3H3
InChIKey MUZVBRFKXWROOA-UHFFFAOYSA-N
Mol Weight 350.41 g/mol
Molecular Formula C22H22O4
Exact Mass 350.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFYBXmPXeJm
Name 8-Carboxy-3-methylflavone, 2-methylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.151809184 u
Formula C22H22O4
InChI InChI=1S/C22H22O4/c1-4-14(2)13-25-22(24)18-12-8-11-17-19(23)15(3)20(26-21(17)18)16-9-6-5-7-10-16/h5-12,14H,4,13H2,1-3H3
InChIKey MUZVBRFKXWROOA-UHFFFAOYSA-N
Molecular Weight 350.414 g/mol
SMILES C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OCC(CC)C)=O)O1)=O