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Ethyl 2-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(4-hydroxyphenyl)methyl]-3-oxobutanoate
SpectraBase Compound ID CzAF4nADcJF
InChI InChI=1S/C22H20O7/c1-3-28-21(26)17(12(2)23)18(13-8-10-14(24)11-9-13)19-20(25)15-6-4-5-7-16(15)29-22(19)27/h4-11,17-18,24-25H,3H2,1-2H3
InChIKey LJUVFUZXAXLULL-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C22H20O7
Exact Mass 396.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVcRBaq3F78
Name Ethyl 2-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(4-hydroxyphenyl)methyl]-3-oxobutanoate
Alternate Name(s) 2-[(4-hydroxy-2-oxo-1-benzopyran-3-yl)-(4-hydroxyphenyl)methyl]-3-oxobutanoic acid ethyl ester Ethyl 2-[(4-hydroxy-2-oxochromen-3-yl)-(4-hydroxyphenyl)methyl]-3-oxobutanoate Ethyl 2-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-hydroxyphenyl)methyl]-3-oxo-butanoate Ethyl 2-[(4-hydroxyphenyl)-(4-oxidanyl-2-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O7
InChI InChI=1S/C22H20O7/c1-3-28-21(26)17(12(2)23)18(13-8-10-14(24)11-9-13)19-20(25)15-6-4-5-7-16(15)29-22(19)27/h4-11,17-18,24-25H,3H2,1-2H3
InChIKey LJUVFUZXAXLULL-UHFFFAOYSA-N
Molecular Weight 396.395 g/mol
SMILES Oc1ccc(C(C2=C(c3ccccc3OC2=O)O)C(C(=O)OCC)C(C)=O)cc1
SPLASH splash10-014i-1290000000-b4854ae596400757f64b
Source of Spectrum F2-44-3080-SS14
Wiley ID 1716068