| SpectraBase Compound ID | EZWRcieOlOD |
|---|---|
| InChI | InChI=1S/C10H9ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7H,1,3H2 |
| InChIKey | SURWREJURSJCLO-UHFFFAOYSA-N |
| Mol Weight | 180.63 g/mol |
| Molecular Formula | C10H9ClO |
| Exact Mass | 180.034193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Mk860sbp74 |
|---|---|
| Name | 1-(4-Chlorophenyl)-3-buten-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.034192609 u |
| Formula | C10H9ClO |
| InChI | InChI=1S/C10H9ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7H,1,3H2 |
| InChIKey | SURWREJURSJCLO-UHFFFAOYSA-N |
| SMILES | C(CC=C)(=O)C=1C=CC(=CC1)Cl |