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Ethyl 2-[(3,4-dihydroxyphenyl)(4-hydroxy-2-oxo-2Hchromen-3-yl)methyl]-3-oxobutanoate
SpectraBase Compound ID 6vYLSWp3lPH
InChI InChI=1S/C22H20O8/c1-3-29-21(27)17(11(2)23)18(12-8-9-14(24)15(25)10-12)19-20(26)13-6-4-5-7-16(13)30-22(19)28/h4-10,17-18,24-26H,3H2,1-2H3
InChIKey TYOCQSMELIUNGP-UHFFFAOYSA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYGHavnZY02
Name Ethyl 2-[(3,4-dihydroxyphenyl)(4-hydroxy-2-oxo-2Hchromen-3-yl)methyl]-3-oxobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-3-29-21(27)17(11(2)23)18(12-8-9-14(24)15(25)10-12)19-20(26)13-6-4-5-7-16(13)30-22(19)28/h4-10,17-18,24-26H,3H2,1-2H3
InChIKey TYOCQSMELIUNGP-UHFFFAOYSA-N
Molecular Weight 412.394 g/mol
SMILES OC=1c2ccccc2OC(C1C(c1cc(c(cc1)O)O)C(C(=O)OCC)C(C)=O)=O
SPLASH splash10-03k9-4930000000-b27e410620b2b670ef7c
Source of Spectrum F2-43-704-SS16
Synonyms 2-[(3,4-dihydroxyphenyl)-(4-hydroxy-2-oxo-1-benzopyran-3-yl)methyl]-3-oxobutanoic acid ethyl ester Ethyl 2-[(3,4-dihydroxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-3-oxobutanoate Ethyl 2-[(3,4-dihydroxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-3-oxo-butanoate Ethyl 2-[[3,4-bis(oxidanyl)phenyl]-(4-oxidanyl-2-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-butanoate
Wiley ID 1715857