N,N'-BIS-[2-HYDROXY-1-(HYDROXYMETHYL)-ETHYL]-5-(HYDROXYACETYL)-AMINO-2,4,6-TRIIODOISOPHTHALDIAMIDE

SpectraBase Compound ID	86DsAtUkhXU
InChI	InChI=1S/C16H20I3N3O8/c17-11-9(15(29)20-6(1-23)2-24)12(18)14(22-8(28)5-27)13(19)10(11)16(30)21-7(3-25)4-26/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)
InChIKey	BPSXCZTZZDIVJV-UHFFFAOYSA-N Google Search
Mol Weight	763.06 g/mol
Molecular Formula	C16H20I3N3O8
Exact Mass	762.83845 g/mol

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SpectraBase Spectrum ID	6UTvXxB5HxW
Name	5-Hydroxyacetyl-amino-N,N'-bis[2-hydroxy-1-hydroxymethyl-ethyl]-2,4,6-triiodo-isophthaldiamide
CAS Registry Number	77868-41-8
Comments	OTHER ISOMERS ABSORB AT 167.95, 167.80, 51.91, 58.12 AND 60.88 PPM
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C16H20I3N3O8
InChI	InChI=1S/C16H20I3N3O8/c17-11-9(15(29)20-6(1-23)2-24)12(18)14(22-8(28)5-27)13(19)10(11)16(30)21-7(3-25)4-26/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)
InChIKey	BPSXCZTZZDIVJV-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