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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 IpNHPYi0VkM
Name 3,3'-(Carboxymethylene)bis(4-hydroxycoumarin) ethyl ester
CAS Registry Number 548-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(=O)OCC)C(Oc2c1cccc2)=O
SPLASH splash10-00di-2912000000-d4bdd2dcd507e9bec632
Source of Spectrum JC-574-73-2
Synonyms 3,3'-Carbaethoxymethylen-bis-(4-oxy-cumarin) Aethyli biscumacetas Aethylis biscumacetas Aethylum biscumaceticum B. O. E. A. 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-hydroxycoumarin)acetic acid ethyl ester Bis(hydroxycoumarin)acetic acid ethyl ester Bis-(4-hydroxy-3-coumarinyl)ethyl acetate Bis-3,3'-(4-hydroxycumarinyl)acetic acid ethyl ester Biscoumacetate d'ethyle Biscumacetato de etilo BOEA Dicumacyl Ethyl 4,4'-dihydroxydicoumarinyl-3,3'-acetate Ethyl bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)acetate Ethyl bis(4-hydroxy-2-oxo-2H-chromen-3-yl)acetate Ethyl bis(4-hydroxy-3-coumarinyl)acetate Ethyl bis(4-hydroxycoumarinyl)acetate Ethyl biscumacetate Ethyldicoumarol Ethyldicoumarol acetate Ethylis biscoumacetas Neodicoumarin Neodicoumarol Neodicumarinum Neodicumarol Neodikumarin Pelentan Stabilene Trombarin Trombil Trombolysan Tromexan Tromexan ethyl acetate EINECS 208-940-5 NSC 36366
Wiley ID 1372909