(S)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-(2-hydroxypropionamido)-2,4,6-triiodoisophthalamide

SpectraBase Compound ID	Eam1CU7zl0D
InChI	InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)
InChIKey	XQZXYNRDCRIARQ-UHFFFAOYSA-N Google Search
Mol Weight	777.09 g/mol
Molecular Formula	C17H22I3N3O8
Exact Mass	776.8541 g/mol

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SpectraBase Spectrum ID	CZJmDmu8n49
Name	S(-)-N,N'-Bis[2-hydroxy-1-hydroxymethyl-ethyl]-5-(2-hydroxy-1-oxo-propylamino)-2,4,6-triiodo-isophthaldiamide
CAS Registry Number	60166-93-0
Comments	OTHER ISOMERS ABSORB AT 97.91, 148.67, 168.05, 51.88, 58.15 PPM
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C17H22I3N3O8
InChI	InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)
InChIKey	XQZXYNRDCRIARQ-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