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2-METHYL-3-(3,5-DIIODO-4-HYDROXYBENZOYL)-BENZOFURAN
SpectraBase Compound ID 8qgOzzyxhUO
InChI InChI=1S/C16H10I2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3
InChIKey QLUUKNMPBTWGBB-UHFFFAOYSA-N
Mol Weight 504.06 g/mol
Molecular Formula C16H10I2O3
Exact Mass 503.871934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrNTHmtxqkx
Name 2-METHYL-3-(3,5-DIIODO-4-HYDROXYBENZOYL)-BENZOFURAN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H10I2O3
InChI InChI=1S/C16H10I2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3
InChIKey QLUUKNMPBTWGBB-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 504.063 g/mol
Sample ID 40928
Solvent ACETONE-D6