![5-[4-Chlorophenyl]-2,2-dimethyl-3-hexanone](/api/spectrum/69UPIX8fPs2/structure.png?h=300&w=458 "5-[4-Chlorophenyl]-2,2-dimethyl-3-hexanone")
| SpectraBase Compound ID | 2eaH3U79gKi |
|---|---|
| InChI | InChI=1S/C14H19ClO/c1-10(9-13(16)14(2,3)4)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3 |
| InChIKey | QHHBSSSAHOTAGF-UHFFFAOYSA-N |
| Mol Weight | 238.76 g/mol |
| Molecular Formula | C14H19ClO |
| Exact Mass | 238.112443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69UPIX8fPs2 |
|---|---|
| Name | 5-[4-Chlorophenyl]-2,2-dimethyl-3-hexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.112442931 u |
| Formula | C14H19ClO |
| InChI | InChI=1S/C14H19ClO/c1-10(9-13(16)14(2,3)4)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3 |
| InChIKey | QHHBSSSAHOTAGF-UHFFFAOYSA-N |
| Molecular Weight | 238.758 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)C(C)CC(C(C)(C)C)=O |