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2-METHYL-3-(3,5-DIIODO-4-CARBOXYMETHOXYBENZYL)-BENZOFURAN
SpectraBase Compound ID IpiOtzbN7nb
InChI InChI=1S/C18H14I2O4/c1-10-13(12-4-2-3-5-16(12)24-10)6-11-7-14(19)18(15(20)8-11)23-9-17(21)22/h2-5,7-8H,6,9H2,1H3,(H,21,22)
InChIKey OLIKCJUMYWSDIV-UHFFFAOYSA-N
Mol Weight 548.11 g/mol
Molecular Formula C18H14I2O4
Exact Mass 547.898149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4lRIZk9zwc
Name 2-METHYL-3-(3,5-DIIODO-4-CARBOXYMETHOXYBENZYL)-BENZOFURAN
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14I2O4
InChI InChI=1S/C18H14I2O4/c1-10-13(12-4-2-3-5-16(12)24-10)6-11-7-14(19)18(15(20)8-11)23-9-17(21)22/h2-5,7-8H,6,9H2,1H3,(H,21,22)
InChIKey OLIKCJUMYWSDIV-UHFFFAOYSA-N
Literature Reference Author B.CARLSSON,B.N.SINGH,M.TEMCIUC,S.NILSSON,Y.L.LI,C.MELLIN,J.M ALM
Literature Reference Citation J.MED.CHEM.,45,623(2002)
Literature Reference DOI 10.1021/jm001126+
Molecular Weight 548.116 g/mol
Sample ID 40932
Solvent ACETONE-D6