| SpectraBase Compound ID | 9DKScJ9mGoK |
|---|---|
| InChI | InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3 |
| InChIKey | ILQGIJDYSLHIOX-UHFFFAOYSA-N |
| Mol Weight | 224.73 g/mol |
| Molecular Formula | C13H17ClO |
| Exact Mass | 224.096793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | De4ouPxWQfI |
|---|---|
| Name | 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.096792866 u |
| Formula | C13H17ClO |
| InChI | InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3 |
| InChIKey | ILQGIJDYSLHIOX-UHFFFAOYSA-N |
| Molecular Weight | 224.731 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)CCC(C(C)(C)C)=O |