![(S)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-(2-hydroxypropionamido)-2,4,6-triiodoisophthalamide](/api/spectrum/4BESO3k62k5/structure.png?h=300&w=458 "(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 |
| Mol Weight | 777.09 g/mol |
| Molecular Formula | C17H22I3N3O8 |
| Exact Mass | 776.8541 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BESO3k62k5 |
|---|---|
| Name | (S)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-(2-hydroxypropionamido)-2,4,6-triiodoisophthalamide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. 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 CFT-20 |
| Sadtler NMR Number | 41042M |
| Solvent | Polysol |