| SpectraBase Compound ID | 2Q5ZAGhaEHq |
|---|---|
| InChI | InChI=1S/C10H11ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3 |
| InChIKey | NHWRHEOCEWDYPJ-UHFFFAOYSA-N |
| Mol Weight | 182.65 g/mol |
| Molecular Formula | C10H11ClO |
| Exact Mass | 182.049843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aQi4BswLPZ |
|---|---|
| Name | 4-(4-Chlorophenyl)butan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.049842673 u |
| Formula | C10H11ClO |
| InChI | InChI=1S/C10H11ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3 |
| InChIKey | NHWRHEOCEWDYPJ-UHFFFAOYSA-N |
| Molecular Weight | 182.650 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)CCC(C)=O |