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acetic acid [2-(3,4-diacetoxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester
SpectraBase Compound ID AmwXgOlvziJ
InChI InChI=1S/C21H20O9/c1-10(22)27-17-5-4-13(6-19(17)28-11(2)23)21-20(29-12(3)24)9-15-16(26)7-14(25)8-18(15)30-21/h4-8,20-21,25-26H,9H2,1-3H3
InChIKey NYYDRUUBYOPREJ-UHFFFAOYSA-N
Mol Weight 416.38 g/mol
Molecular Formula C21H20O9
Exact Mass 416.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5R97n62u9Yd
Name acetic acid [2-(3,4-diacetoxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O9
InChI InChI=1S/C21H20O9/c1-10(22)27-17-5-4-13(6-19(17)28-11(2)23)21-20(29-12(3)24)9-15-16(26)7-14(25)8-18(15)30-21/h4-8,20-21,25-26H,9H2,1-3H3
InChIKey NYYDRUUBYOPREJ-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 416.384 g/mol
Source File Reference MHKO16306