| SpectraBase Compound ID | KGrJXGfFsmq |
|---|---|
| InChI | InChI=1S/C19H26N2O10/c1-29-18-14(16(25)15(24)12(8-22)31-18)21-13(23)7-11(17(26)27)20-19(28)30-9-10-5-3-2-4-6-10/h2-6,11-12,14-16,18,22,24-25H,7-9H2,1H3,(H,20,28)(H,21,23)(H,26,27)/t11-,12-,14-,15-,16-,18-/m0/s1 |
| InChIKey | VOJNYENZTLYXOJ-VVZBFCDESA-N |
| Mol Weight | 442.42 g/mol |
| Molecular Formula | C19H26N2O10 |
| Exact Mass | 442.158745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMh3ttx7Mqj |
|---|---|
| Name | Methyl N-(N-benzyloxycarbonyl-beta-L-aspartyl)-beta-D-glucosaminide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.158745035 u |
| Formula | C19H26N2O10 |
| InChI | InChI=1S/C19H26N2O10/c1-29-18-14(16(25)15(24)12(8-22)31-18)21-13(23)7-11(17(26)27)20-19(28)30-9-10-5-3-2-4-6-10/h2-6,11-12,14-16,18,22,24-25H,7-9H2,1H3,(H,20,28)(H,21,23)(H,26,27)/t11-,12-,14-,15-,16-,18-/m0/s1 |
| InChIKey | VOJNYENZTLYXOJ-VVZBFCDESA-N |
| Molecular Weight | 442.421 g/mol |
| SMILES | [C@]1([C@@](O[C@@]([C@]([C@@]1(O)[H])(NC(C[C@](NC(=O)OCC1=CC=CC=C1)(C(O)=O)[H])=O)[H])(OC)[H])(CO)[H])(O)[H] |