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N,N'-BIS-(1,3-DIHYDROXY-2-PROPYL)-5-[(N-METHYL)-HYDROXYACETAMIDO]-2,4,6-TRIIODOISOPHTHALDIAMIDE

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N,N'-BIS-(1,3-DIHYDROXY-2-PROPYL)-5-[(N-METHYL)-HYDROXYACETAMIDO]-2,4,6-TRIIODOISOPHTHALDIAMIDE
SpectraBase Compound ID 3WfHlz9t2Nj
InChI InChI=1S/C17H22I3N3O8/c1-23(9(29)6-28)15-13(19)10(16(30)21-7(2-24)3-25)12(18)11(14(15)20)17(31)22-8(4-26)5-27/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)
InChIKey PCFWOWILFZCDGJ-UHFFFAOYSA-N
Mol Weight 777.09 g/mol
Molecular Formula C17H22I3N3O8
Exact Mass 776.8541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDVUFG2EhgG
Name 5-(N-Hydroxyacetyl-methylamino)-N,N'-bis[2-hydroxy-1-hydroxymethyl-ethyl]-2,4,6-triiodo-isophthaldiamide
CAS Registry Number 78649-38-4
Comments OTHER ISOMERS ABSORB AT 97.51, 150.06, 52.01 AND 58.28 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22I3N3O8
InChI InChI=1S/C17H22I3N3O8/c1-23(9(29)6-28)15-13(19)10(16(30)21-7(2-24)3-25)12(18)11(14(15)20)17(31)22-8(4-26)5-27/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)
InChIKey PCFWOWILFZCDGJ-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference S. Bradamante, G. Vittadini, Magn. Res. Chem. 25, 283 (1987).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6