| SpectraBase Compound ID | JyaL2GCQOeU |
|---|---|
| InChI | InChI=1S/C12H15ClO5/c1-17-7-3-4-9(13)8(5-7)12(16)10(14)6-11(15)18-2/h3-5,10,12,14,16H,6H2,1-2H3/t10-,12-/m1/s1 |
| InChIKey | JDKDZWATKGWIHR-ZYHUDNBSSA-N |
| Mol Weight | 274.7 g/mol |
| Molecular Formula | C12H15ClO5 |
| Exact Mass | 274.060801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxHsNzLXzlJ |
|---|---|
| Name | (3R,4R)-4-(2-Chloro-5-methoxy-phenyl)-3,4-dihydroxy-butyric acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.060801278 u |
| Formula | C12H15ClO5 |
| InChI | InChI=1S/C12H15ClO5/c1-17-7-3-4-9(13)8(5-7)12(16)10(14)6-11(15)18-2/h3-5,10,12,14,16H,6H2,1-2H3/t10-,12-/m1/s1 |
| InChIKey | JDKDZWATKGWIHR-ZYHUDNBSSA-N |
| SMILES | C1([C@]([C@@](CC(=O)OC)(O)[H])(O)[H])=C(C=CC(=C1)OC)Cl |