| SpectraBase Compound ID | Ar1AITIC3nS |
|---|---|
| InChI | InChI=1S/C12H21NO9.Na/c1-5(15)13-9-8(7(17)6(16)3-14)22-12(21,10(18)19)4-11(9,2)20;/h6-9,14,16-17,20-21H,3-4H2,1-2H3,(H,13,15)(H,18,19);/q;+1/p-1/t6?,7?,8-,9-,11+,12-;/m1./s1 |
| InChIKey | VYKQSUATPCPVSE-WQIYMWLWSA-M |
| Mol Weight | 345.28 g/mol |
| Molecular Formula | C12H20NNaO9 |
| Exact Mass | 345.103575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mJaeqgNxFC |
|---|---|
| Name | SODIUM-5-ACETAMIDO-3,5-DIDEOXY-4-C-METHYL-D-GLYCERO-D-TALO-NONULOSONATE |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H20NNaO9 |
| InChI | InChI=1S/C12H21NO9.Na/c1-5(15)13-9-8(7(17)6(16)3-14)22-12(21,10(18)19)4-11(9,2)20;/h6-9,14,16-17,20-21H,3-4H2,1-2H3,(H,13,15)(H,18,19);/q;+1/p-1/t6?,7?,8-,9-,11+,12-;/m1./s1 |
| InChIKey | VYKQSUATPCPVSE-WQIYMWLWSA-M |
| Literature Reference Author | M.HARTMANN,R.CHRISTIAN,E.ZBIRAL |
| Literature Reference Citation | MH.CHEM.,122,111(1991) |
| Literature Reference DOI | 10.1007/BF00815172 |
| Molecular Weight | 345.282 g/mol |
| Solvent | DIOXANE:D2O |
| Source File Reference | UWFP58 |