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2-N-BUTYL-3-(3,5-DIIODO-4-CARBOXYMETHOXYBENZOYL)-BENZOFURAN
SpectraBase Compound ID C6cd3VcSu6L
InChI InChI=1S/C21H18I2O5/c1-2-3-7-17-19(13-6-4-5-8-16(13)28-17)20(26)12-9-14(22)21(15(23)10-12)27-11-18(24)25/h4-6,8-10H,2-3,7,11H2,1H3,(H,24,25)
InChIKey BBJNWOVHBXFYFH-UHFFFAOYSA-N
Mol Weight 604.18 g/mol
Molecular Formula C21H18I2O5
Exact Mass 603.924364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhZnwlWOO3l
Name 2-N-BUTYL-3-(3,5-DIIODO-4-CARBOXYMETHOXYBENZOYL)-BENZOFURAN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18I2O5
InChI InChI=1S/C21H18I2O5/c1-2-3-7-17-19(13-6-4-5-8-16(13)28-17)20(26)12-9-14(22)21(15(23)10-12)27-11-18(24)25/h4-6,8-10H,2-3,7,11H2,1H3,(H,24,25)
InChIKey BBJNWOVHBXFYFH-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 604.180 g/mol
Sample ID 40930
Solvent ACETONE-D6