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Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, trimethyl ether

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Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, trimethyl ether
SpectraBase Compound ID LovMt9qm6Yd
InChI InChI=1S/C22H28O8/c1-24-13-20(21(28-5)14-7-9-16(25-2)18(11-14)26-3)30-17-10-8-15(22(23)29-6)12-19(17)27-4/h7-12,20-21H,13H2,1-6H3
InChIKey RIEHBHNXXMCMRU-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sf5rt4BKBq
Name Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, trimethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.178417854 u
Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-24-13-20(21(28-5)14-7-9-16(25-2)18(11-14)26-3)30-17-10-8-15(22(23)29-6)12-19(17)27-4/h7-12,20-21H,13H2,1-6H3
InChIKey RIEHBHNXXMCMRU-UHFFFAOYSA-N
Molecular Weight 420.458 g/mol
SMILES COC1=CC=C(C(C(OC=2C(OC)=CC(=CC2)C(OC)=O)COC)OC)C=C1OC