| SpectraBase Compound ID | DjtWiSCaM86 |
|---|---|
| InChI | InChI=1S/C10H11ClO4/c1-15-10(14)9(13)8(12)6-2-4-7(11)5-3-6/h2-5,8-9,12-13H,1H3/t8-,9+/m0/s1 |
| InChIKey | QXKCOXIAKQIEGN-DTWKUNHWSA-N |
| Mol Weight | 230.65 g/mol |
| Molecular Formula | C10H11ClO4 |
| Exact Mass | 230.034587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJAJxgDgq1O |
|---|---|
| Name | (2R,3S)-3-(4-Chlorophenyl)-2,3-dihydroxy-propionic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.034586530 u |
| Formula | C10H11ClO4 |
| InChI | InChI=1S/C10H11ClO4/c1-15-10(14)9(13)8(12)6-2-4-7(11)5-3-6/h2-5,8-9,12-13H,1H3/t8-,9+/m0/s1 |
| InChIKey | QXKCOXIAKQIEGN-DTWKUNHWSA-N |
| Molecular Weight | 230.647 g/mol |
| SMILES | [C@@](C(=O)OC)([C@](C=1C=CC(=CC1)Cl)(O)[H])(O)[H] |