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bis[4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]acetic acid, ethyl ester

View entire compound with spectra: 5 NMR, and 4 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ja6jsXYuMO4
Name Ethyl bis(4-hydroxy-coumarin-3-yl)-acetate
CAS Registry Number 548-00-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian XL-100
Literature Reference O. Convert, C. Deville, J.J. Godfroid, Org. Magn. Resonance 10, 220 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3