| SpectraBase Compound ID | 3kclSBB5hw3 |
|---|---|
| InChI | InChI=1S/C6H11ClO3/c1-5(4-8)6(9)10-3-2-7/h5,8H,2-4H2,1H3 |
| InChIKey | HUHFMTIUMIGPFL-UHFFFAOYSA-N |
| Mol Weight | 166.6 g/mol |
| Molecular Formula | C6H11ClO3 |
| Exact Mass | 166.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12P35z7X4Uh |
|---|---|
| Name | (2-Chloro ethyl)-3-hydroxy isobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.039671911 u |
| Formula | C6H11ClO3 |
| InChI | InChI=1S/C6H11ClO3/c1-5(4-8)6(9)10-3-2-7/h5,8H,2-4H2,1H3 |
| InChIKey | HUHFMTIUMIGPFL-UHFFFAOYSA-N |
| Molecular Weight | 166.604 g/mol |
| SMILES | C(C(CO)C)(=O)OCCCl |