| SpectraBase Compound ID | Iwi9LT0qKHO |
|---|---|
| InChI | InChI=1S/C13H17ClO3/c1-4-17-12(15)9(2)13(3,16)10-5-7-11(14)8-6-10/h5-9,16H,4H2,1-3H3 |
| InChIKey | UVRPDPKKQYLEBC-UHFFFAOYSA-N |
| Mol Weight | 256.73 g/mol |
| Molecular Formula | C13H17ClO3 |
| Exact Mass | 256.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fq2hbUjhmbN |
|---|---|
| Name | Ethyl 3-(4-chlorophenyl)-3-hydroxy-2-methylbutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.086622104 u |
| Formula | C13H17ClO3 |
| InChI | InChI=1S/C13H17ClO3/c1-4-17-12(15)9(2)13(3,16)10-5-7-11(14)8-6-10/h5-9,16H,4H2,1-3H3 |
| InChIKey | UVRPDPKKQYLEBC-UHFFFAOYSA-N |
| Molecular Weight | 256.729 g/mol |
| SMILES | C(C(C(C)(O)C=1C=CC(=CC1)Cl)C)(=O)OCC |