| SpectraBase Compound ID | IoJ0Zy2lhaR |
|---|---|
| InChI | InChI=1S/C13H18O7/c14-6-9-10(15)11(16)12(17)13(18,20-9)7-19-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10-,11-,12+,13-/m1/s1 |
| InChIKey | WUNXJKFDCMJWIT-NJMOYASZSA-N |
| Mol Weight | 286.28 g/mol |
| Molecular Formula | C13H18O7 |
| Exact Mass | 286.105253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EycSgLpWRkW |
|---|---|
| Name | Phenyl .alpha.-D-sedoheptuloside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.105252913 u |
| Formula | C13H18O7 |
| InChI | InChI=1S/C13H18O7/c14-6-9-10(15)11(16)12(17)13(18,20-9)7-19-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10-,11-,12+,13-/m1/s1 |
| InChIKey | WUNXJKFDCMJWIT-NJMOYASZSA-N |
| SMILES | [C@@]1([C@](O[C@]([C@]([C@@]1(O)[H])(O)[H])(O)COC1=CC=CC=C1)(CO)[H])(O)[H] |