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(Z/E)-ESCULETIN-4-CARBOXYLIC-ACID-METHYLESTER;MIXTURE
SpectraBase Compound ID F2sdkUBkFAS
InChI InChI=1S/2C11H8O6/c2*1-16-11(15)6-3-10(14)17-9-4-8(13)7(12)2-5(6)9/h2*2-4,12-13H,1H3
InChIKey WGZQQHBLFZGSKN-UHFFFAOYSA-N
Mol Weight 472.36 g/mol
Molecular Formula C22H16O12
Exact Mass 472.064176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWPFdbhq5MJ
Name (Z/E)-ESCULETIN-4-CARBOXYLIC-ACID-METHYLESTER;MIXTURE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16O12
InChI InChI=1S/2C11H8O6/c2*1-16-11(15)6-3-10(14)17-9-4-8(13)7(12)2-5(6)9/h2*2-4,12-13H,1H3
InChIKey WGZQQHBLFZGSKN-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 472.362 g/mol
Source File Reference UWIR5326