| SpectraBase Compound ID | 9ZW3yzX7FWF |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-9(12(14)15)11(13)8-16-7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)/t9-,11+/m1/s1 |
| InChIKey | JPHMZBISRLOARN-KOLCDFICSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tkMMTrFMaR |
|---|---|
| Name | (-)-(2R,3R)-4-benzyloxy-3-hydroxy-2-methylbutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-9(12(14)15)11(13)8-16-7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)/t9-,11+/m1/s1 |
| InChIKey | JPHMZBISRLOARN-KOLCDFICSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | [C@@](C(=O)O)([C@@](O)(COCC=1C=CC=CC1)[H])(C)[H] |