| SpectraBase Compound ID | LBDnWsY5XPC |
|---|---|
| InChI | InChI=1S/C15H30N2O11/c16-1-5(2-17)25-14-12(24)10(22)13(7(4-19)27-14)28-15-11(23)9(21)8(20)6(3-18)26-15/h5-15,18-24H,1-4,16-17H2/t6-,7-,8+,9-,10+,11-,12-,13+,14+,15-/m0/s1 |
| InChIKey | MPJHEBDKWXOKJN-IMRSJOGTSA-N |
| Mol Weight | 414.41 g/mol |
| Molecular Formula | C15H30N2O11 |
| Exact Mass | 414.18496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSBNSX8T4xp |
|---|---|
| Name | (1,3-Diamino-prop-2-yl)-B-D-cellobioside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.184959783 u |
| Formula | C15H30N2O11 |
| InChI | InChI=1S/C15H30N2O11/c16-1-5(2-17)25-14-12(24)10(22)13(7(4-19)27-14)28-15-11(23)9(21)8(20)6(3-18)26-15/h5-15,18-24H,1-4,16-17H2/t6-,7-,8+,9-,10+,11-,12-,13+,14+,15-/m0/s1 |
| InChIKey | MPJHEBDKWXOKJN-IMRSJOGTSA-N |
| Molecular Weight | 414.408 g/mol |
| SMILES | O[C@@]1([C@@]([C@@](O[C@]([C@]1(O[C@]1([C@]([C@]([C@@]([C@](CO)(O1)[H])(O)[H])(O)[H])(O)[H])[H])[H])(CO)[H])(OC(CN)CN)[H])(O)[H])[H] |