| SpectraBase Compound ID | QmrvOf3h1H |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8/h3-7,11,14H,1-2H3 |
| InChIKey | RMZYLSOTYHRNEP-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6g9xIEFuQ4 |
|---|---|
| Name | 1-(4-Chlorophenyl)-1-hydroxy-3-methylbutan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.060407357 u |
| Formula | C11H13ClO2 |
| InChI | InChI=1S/C11H13ClO2/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8/h3-7,11,14H,1-2H3 |
| InChIKey | RMZYLSOTYHRNEP-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(C(C=1C=CC(=CC1)Cl)O)(=O)C(C)C |