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2-[3-(Ethoxycarbonyl)propyl]-7,4'-dihydroxyisoflavone
SpectraBase Compound ID 3UJezKRPpic
InChI InChI=1S/C21H20O6/c1-2-26-19(24)5-3-4-17-20(13-6-8-14(22)9-7-13)21(25)16-11-10-15(23)12-18(16)27-17/h6-12,22-23H,2-5H2,1H3
InChIKey VQKSLEZPUOXXSF-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoQyjFsCkHU
Name 2-[3-(Ethoxycarbonyl)propyl]-7,4'-dihydroxyisoflavone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-2-26-19(24)5-3-4-17-20(13-6-8-14(22)9-7-13)21(25)16-11-10-15(23)12-18(16)27-17/h6-12,22-23H,2-5H2,1H3
InChIKey VQKSLEZPUOXXSF-UHFFFAOYSA-N
Molecular Weight 368.385 g/mol
SMILES Oc1ccc2C(C(c3ccc(cc3)O)=C(Oc2c1)CCCC(=O)OCC)=O
SPLASH splash10-00lr-0096000000-bad6d1a86c3c3205ef4b
Source of Spectrum SO-0-413-2
Synonyms Ethyl 4-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-2-yl]butanoate 4-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-2-yl]butanoic acid ethyl ester Ethyl 4-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-2-yl]butanoate Ethyl 4-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-2-yl]butanoate Ethyl 4-[3-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]butanoate
Wiley ID 877379