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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
Mol Weight 763.06 g/mol
Molecular Formula C16H20I3N3O8
Exact Mass 762.83845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EH6815ZgbPM
Name N,N'-BIS-[2-HYDROXY-1-(HYDROXYMETHYL)-ETHYL]-5-(HYDROXYACETYL)-AMINO-2,4,6-TRIIODOISOPHTHALDIAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author S.BRADAMANTE,G.VITTADINI
Literature Reference Citation MAGN.RES.CHEM.,25,283(1987)
Literature Reference DOI 10.1002/mrc.1260250402
Molecular Weight 763.064 g/mol
Solvent D2O
Source File Reference UNIW22257