S-(-)-3-N-[2-HYDROXY-1-(HYDROXYMETHYL)-ETHYL]-5-(2-HYDROXY-1-OXOPROPYL)-AMINO]-2,4,6-TRIIODOISOPHTHALAMIDE

SpectraBase Compound ID	CJSmpVypsS5
InChI	InChI=1S/C14H16I3N3O6/c1-4(23)13(25)20-11-9(16)6(12(18)24)8(15)7(10(11)17)14(26)19-5(2-21)3-22/h4-5,21-23H,2-3H2,1H3,(H2,18,24)(H,19,26)(H,20,25)
InChIKey	MCZYFQHMXGCFDR-UHFFFAOYSA-N Google Search
Mol Weight	703.01 g/mol
Molecular Formula	C14H16I3N3O6
Exact Mass	702.81732 g/mol

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SpectraBase Spectrum ID	ItAfQfpovjO
Name	S-(-)N-[2-Hydroxy-1-hydroxymethyl-ethyl]-5-[2-hydroxy-1-oxo-propylamino]-2,4,6-triiodo-isophthalamamide
CAS Registry Number	87932-10-3
Comments	ADDITIONAL ABSORPTIONS AT 148.92, 168.11, AND 168.02 PPM
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C14H16I3N3O6
InChI	InChI=1S/C14H16I3N3O6/c1-4(23)13(25)20-11-9(16)6(12(18)24)8(15)7(10(11)17)14(26)19-5(2-21)3-22/h4-5,21-23H,2-3H2,1H3,(H2,18,24)(H,19,26)(H,20,25)
InChIKey	MCZYFQHMXGCFDR-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