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4-[(Ethoxycarbonyl)methyl]-7-[benzoylmethoxy]-8-methylcoumarin
SpectraBase Compound ID Ht5N5ViRpla
InChI InChI=1S/C22H20O6/c1-3-26-20(24)11-16-12-21(25)28-22-14(2)19(10-9-17(16)22)27-13-18(23)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3
InChIKey TUAFJKAASRYMSY-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C22H20O6
Exact Mass 380.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Izy8BnUyiAu
Name 4-[(Ethoxycarbonyl)methyl]-7-[benzoylmethoxy]-8-methylcoumarin
Alternate Name(s) Ethyl(8-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-chromen-4-yl)acetate Ethyl[8-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-chromen-4-yl]acetate Ethyl 2-(8-methyl-2-oxo-7-(2-oxo-2-phenylethoxy)-2H-chromen-4-yl)acetate
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Formula C22H20O6
InChI InChI=1S/C22H20O6/c1-3-26-20(24)11-16-12-21(25)28-22-14(2)19(10-9-17(16)22)27-13-18(23)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3
InChIKey TUAFJKAASRYMSY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200300741
Molecular Weight 380.396 g/mol
SMILES C(=O)(OCC)CC1=CC(Oc2c(c(ccc12)OCC(c1ccccc1)=O)C)=O
SPLASH splash10-0a4i-5900000000-e3f85543b226ee90cf34
Source of Spectrum APP-336-276-4c
Wiley ID 1770716