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(Z/E)-ESCULETIN-4-CARBOXYLIC-ACID-ETHYLESTER;MIXTURE
SpectraBase Compound ID 2eroDQQLCDG
InChI InChI=1S/2C12H10O6/c2*1-2-17-12(16)7-4-11(15)18-10-5-9(14)8(13)3-6(7)10/h2*3-5,13-14H,2H2,1H3
InChIKey MIJUYBUEZVIFJR-UHFFFAOYSA-N
Mol Weight 500.41 g/mol
Molecular Formula C24H20O12
Exact Mass 500.095476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzZr0DRWxlw
Name (Z/E)-ESCULETIN-4-CARBOXYLIC-ACID-ETHYLESTER;MIXTURE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20O12
InChI InChI=1S/2C12H10O6/c2*1-2-17-12(16)7-4-11(15)18-10-5-9(14)8(13)3-6(7)10/h2*3-5,13-14H,2H2,1H3
InChIKey MIJUYBUEZVIFJR-UHFFFAOYSA-N
Literature Reference Author S.P.D.LIRA,M.H.R.SELEGHIM,D.E.WILLIAMS,F.MARION,P.HAMILL,F.J EAN,R.J.ANDERSEN
Literature Reference Citation J.BRAZ.CHEM.SOC.,18,440(2007)
Literature Reference DOI 10.1590/s0103-50532007000200030
Molecular Weight 500.416 g/mol
Source File Reference UWIR5327