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

SpectraBase Compound ID	7Xj8cChtMJ6
InChI	InChI=1S/C14H15I3N2O7/c1-4(22)12(23)19-11-9(16)6(13(24)18-5(2-20)3-21)8(15)7(10(11)17)14(25)26/h4-5,20-22H,2-3H2,1H3,(H,18,24)(H,19,23)(H,25,26)
InChIKey	BWAZWHDKQIBKFB-UHFFFAOYSA-N Google Search
Mol Weight	703.99 g/mol
Molecular Formula	C14H15I3N2O7
Exact Mass	703.801336 g/mol

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SpectraBase Spectrum ID	2SafKjgoCqa
Name	S(-)N-(2-Hydroxy-1-hydroxymethyl-ethyl)-5-(2-hydroxy-1-oxo-propylamino)-2,4,6-triiodo-isophthalamic acid
CAS Registry Number	111864-53-0
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C14H15I3N2O7
InChI	InChI=1S/C14H15I3N2O7/c1-4(22)12(23)19-11-9(16)6(13(24)18-5(2-20)3-21)8(15)7(10(11)17)14(25)26/h4-5,20-22H,2-3H2,1H3,(H,18,24)(H,19,23)(H,25,26)
InChIKey	BWAZWHDKQIBKFB-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	D2O