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1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one, 3ac derivative

View entire compound with spectra: 1 NMR

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one, 3ac derivative
SpectraBase Compound ID 9m67uC8G6h
InChI InChI=1S/C25H28O7/c1-17(26)30-23-13-9-20(10-14-23)6-4-5-7-22(29)12-8-21-11-15-24(31-18(2)27)25(16-21)32-19(3)28/h9-11,13-16H,4-8,12H2,1-3H3
InChIKey GAMKPMXZYUBJBW-UHFFFAOYSA-N
Mol Weight 440.49 g/mol
Molecular Formula C25H28O7
Exact Mass 440.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3k2fX7JLr8d
Name 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one, 3ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.183503235 u
Formula C25H28O7
InChI InChI=1S/C25H28O7/c1-17(26)30-23-13-9-20(10-14-23)6-4-5-7-22(29)12-8-21-11-15-24(31-18(2)27)25(16-21)32-19(3)28/h9-11,13-16H,4-8,12H2,1-3H3
InChIKey GAMKPMXZYUBJBW-UHFFFAOYSA-N
Molecular Weight 440.492 g/mol
SMILES C(CC(CCCCC1=CC=C(C=C1)OC(C)=O)=O)C1=CC(=C(C=C1)OC(C)=O)OC(C)=O