| SpectraBase Compound ID | CL9va3MGgcq |
|---|---|
| InChI | InChI=1S/C17H24N2O8/c1-9(18-17(25)26-8-10-5-3-2-4-6-10)15(23)19-12-14(22)13(21)11(7-20)27-16(12)24/h2-6,9,11-14,16,20-22,24H,7-8H2,1H3,(H,18,25)(H,19,23)/t9?,11-,12?,13-,14-,16?/m0/s1 |
| InChIKey | FCWBBPMGQLUJSG-OWCZOSSISA-N |
| Mol Weight | 384.39 g/mol |
| Molecular Formula | C17H24N2O8 |
| Exact Mass | 384.153266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQHDVx6ENZz |
|---|---|
| Name | N-(N-Benzyloxycarbonyl-dl-alanyl)-D-glucosamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.153265733 u |
| Formula | C17H24N2O8 |
| InChI | InChI=1S/C17H24N2O8/c1-9(18-17(25)26-8-10-5-3-2-4-6-10)15(23)19-12-14(22)13(21)11(7-20)27-16(12)24/h2-6,9,11-14,16,20-22,24H,7-8H2,1H3,(H,18,25)(H,19,23)/t9?,11-,12?,13-,14-,16?/m0/s1 |
| InChIKey | FCWBBPMGQLUJSG-OWCZOSSISA-N |
| Molecular Weight | 384.385 g/mol |
| SMILES | C1=CC=C(C=C1)COC(NC(C(NC1C(O[C@]([C@@]([C@]1(O)[H])(O)[H])(CO)[H])O)=O)C)=O |