| SpectraBase Compound ID | 997j75yxMwy |
|---|---|
| InChI | InChI=1S/C10H13NO5/c12-5-9(13)7-16-6-8-3-1-2-4-10(8)11(14)15/h1-4,9,12-13H,5-7H2 |
| InChIKey | XWGHAXNNOQEGOI-UHFFFAOYSA-N |
| Mol Weight | 227.22 g/mol |
| Molecular Formula | C10H13NO5 |
| Exact Mass | 227.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LldkGnzYvc |
|---|---|
| Name | (+-)-o(1)-(2-nitrobenzyl)glycerol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.079372518 u |
| Formula | C10H13NO5 |
| InChI | InChI=1S/C10H13NO5/c12-5-9(13)7-16-6-8-3-1-2-4-10(8)11(14)15/h1-4,9,12-13H,5-7H2 |
| InChIKey | XWGHAXNNOQEGOI-UHFFFAOYSA-N |
| Molecular Weight | 227.216 g/mol |
| SMILES | C1(N(=O)=O)=C(COCC(O)CO)C=CC=C1 |