| SpectraBase Compound ID | IhBMR1m3xLw |
|---|---|
| InChI | InChI=1S/C11H12Cl2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5,10,14H,2,6H2,1H3/t10-/m1/s1 |
| InChIKey | YBRUTBNRYJYVDO-SNVBAGLBSA-N |
| Mol Weight | 263.12 g/mol |
| Molecular Formula | C11H12Cl2O3 |
| Exact Mass | 262.01635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8hm9FoHU6a |
|---|---|
| Name | (3R)-Ethyl .beta.-hydroxy-.beta.-(o,p-dichlorophenyl)propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.016349643 u |
| Formula | C11H12Cl2O3 |
| InChI | InChI=1S/C11H12Cl2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5,10,14H,2,6H2,1H3/t10-/m1/s1 |
| InChIKey | YBRUTBNRYJYVDO-SNVBAGLBSA-N |
| SMILES | C=1(C(=CC(=CC1)Cl)Cl)[C@@](CC(=O)OCC)(O)[H] |