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3',4',5,7-TETRA-O-METHYL-6-IODO-CATECHIN
SpectraBase Compound ID FMDN5BYZ3dR
InChI InChI=1S/C19H21IO6/c1-22-13-6-5-10(7-15(13)23-2)18-12(21)8-11-14(26-18)9-16(24-3)17(20)19(11)25-4/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m1/s1
InChIKey HUPVTDMDILLQPW-XIKOKIGWSA-N
Mol Weight 472.28 g/mol
Molecular Formula C19H21IO6
Exact Mass 472.038283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2tmMakvbRN
Name 3',4',5,7-TETRA-O-METHYL-6-IODO-CATECHIN
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21IO6
InChI InChI=1S/C19H21IO6/c1-22-13-6-5-10(7-15(13)23-2)18-12(21)8-11-14(26-18)9-16(24-3)17(20)19(11)25-4/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m1/s1
InChIKey HUPVTDMDILLQPW-XIKOKIGWSA-N
Literature Reference Author E.KIEHLMANN,N.LEHTO,D.CHERNIWCHAN
Literature Reference Citation CAN.J.CHEM.,66,2431(1988)
Literature Reference DOI 10.1139/v88-383
Molecular Weight 472.277 g/mol
Solvent CDCl3
Source File Reference UWED1857