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N,N'-Bis[2-hydroxy-1-hydroxymethyl-ethyl]-5-amino-2,4,6-triiodo-isophthaldiamide

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N,N'-Bis[2-hydroxy-1-hydroxymethyl-ethyl]-5-amino-2,4,6-triiodo-isophthaldiamide
SpectraBase Compound ID Dk4WTMcN01r
InChI InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-5(1-21)2-22)10(16)12(18)11(17)8(9)14(26)20-6(3-23)4-24/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
InChIKey FVLWRKHQMFPOQE-UHFFFAOYSA-N
Mol Weight 705.03 g/mol
Molecular Formula C14H18I3N3O6
Exact Mass 704.83297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2whkXqZWYNX
Name N,N'-Bis[2-hydroxy-1-hydroxymethyl-ethyl]-5-amino-2,4,6-triiodo-isophthaldiamide
CAS Registry Number 60166-98-5
Comments SYN/ANTI ISOMERIC ABSORPTIONS AT 170.06, 53.58, 59.79 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H18I3N3O6
InChI InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-5(1-21)2-22)10(16)12(18)11(17)8(9)14(26)20-6(3-23)4-24/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
InChIKey FVLWRKHQMFPOQE-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