| SpectraBase Compound ID | IDQq7qbbH61 |
|---|---|
| InChI | InChI=1S/C13H14O5/c14-10-6-7-17-11(12(10)15)8-18-13(16)9-4-2-1-3-5-9/h1-7,10-12,14-15H,8H2/t10-,11-,12+/m1/s1 |
| InChIKey | DIEYDTYJOXFFJG-UTUOFQBUSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKNDBky5N1N |
|---|---|
| Name | 6-o-Benzoyl-D-glucal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c14-10-6-7-17-11(12(10)15)8-18-13(16)9-4-2-1-3-5-9/h1-7,10-12,14-15H,8H2/t10-,11-,12+/m1/s1 |
| InChIKey | DIEYDTYJOXFFJG-UTUOFQBUSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | C(OC[C@@]1([C@]([C@](O)(C=CO1)[H])(O)[H])[H])(=O)C1=CC=CC=C1 |