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bis[4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]acetic acid, ethyl ester
SpectraBase Compound ID InEtmruZHje
InChI InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3
InChIKey JCLHQFUTFHUXNN-UHFFFAOYSA-N
Mol Weight 408.36 g/mol
Molecular Formula C22H16O8
Exact Mass 408.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SPxzTFl6ID
Name Ethyl Biscoumacetate
Alternate Name(s) Ethyl bis(4-hydroxy-2-oxo-2H-chromen-3-yl)acetate 2H-1-Benzopyran-3-acetic acid, 4-hydroxy-.alpha.-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxo-, ethyl ester Acetic acid, bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-, ethyl ester Bis(4-hydroxycoumarin)acetic acid ethyl ester Bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)acetic acid ethyl ester Bis(4-hydroxy-3-coumarin)acetic acid ethyl ester Bis-(4-hydroxy-3-coumarinyl)ethyl acetate Bis-3,3'-(4-hydroxycumarinyl)acetic acid ethyl ester Dicumacyl Ethyl bis(4-hydroxy-3-coumarinyl)acetate Ethyl bis(4-hydroxycoumarinyl)acetate Ethyl biscumacetate Ethyl ester of 3,3'-carboxymethylenebis(4-hydroxycoumarin) Ethyl 4,4'-dihydroxydicoumarinyl-3,3'-acetate Ethyldicoumarol acetate Neodicoumarin Neodicoumarol Neodicumarinum Neodicumarol Pelentan Trombarin Trombil Trombolysan Tromexan ethyl acetate 3,3'-(Carboxymethylene)bis(4-hydroxycoumarin) ethyl ester 3,3'-Carbaethoxymethylen-bis-(4-oxy-cumarin) Stabilene Ethyl bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)acetate
CAS Registry Number 548-00-5
Comments Structure changed after expert review
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Formula C22H16O8
InChI InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3
InChIKey JCLHQFUTFHUXNN-UHFFFAOYSA-N
Molecular Weight 408.362 g/mol
SMILES OC1=C(C(C2=C(c3c(OC2=O)cccc3)O)C(OCC)=O)C(Oc2c1cccc2)=O
SPLASH splash10-00xr-4927000000-a650ef11fecd67eea12e
Source of Spectrum JZ-1992-1641-0
Wiley ID 1372908