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N-[4-(2-HYDROXYETHYL)-PHENYL]-6,8-DI-IODO-COUMARIN-3-CARBOXAMIDE
SpectraBase Compound ID 92LfV6a07JN
InChI InChI=1S/C18H13I2NO4/c19-12-7-11-8-14(18(24)25-16(11)15(20)9-12)17(23)21-13-3-1-10(2-4-13)5-6-22/h1-4,7-9,22H,5-6H2,(H,21,23)
InChIKey QOAIBYVVNZADHZ-UHFFFAOYSA-N
Mol Weight 561.11 g/mol
Molecular Formula C18H13I2NO4
Exact Mass 560.893398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FC3gObt3asY
Name N-[4-(2-HYDROXYETHYL)-PHENYL]-6,8-DI-IODO-COUMARIN-3-CARBOXAMIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13I2NO4
InChI InChI=1S/C18H13I2NO4/c19-12-7-11-8-14(18(24)25-16(11)15(20)9-12)17(23)21-13-3-1-10(2-4-13)5-6-22/h1-4,7-9,22H,5-6H2,(H,21,23)
InChIKey QOAIBYVVNZADHZ-UHFFFAOYSA-N
Literature Reference Author H.M.MOHAMED,A.H.F.A.EL-WAHAB,A.M.EL-AGRODY,A.H.BEDAIR,F.A.EI D,M.M.KHAFAGY
Literature Reference Citation BEIL.J.ORG.CHEM.,7,1688(2011)
Literature Reference DOI 10.3762/bjoc.7.199
Molecular Weight 561.115 g/mol
Solvent DMSO-D6
Source File Reference UWBT9860