| SpectraBase Compound ID | LvkhQr1iysz |
|---|---|
| InChI | InChI=1S/C13H17ClO/c1-3-6-11(9-10(2)15)12-7-4-5-8-13(12)14/h4-5,7-8,11H,3,6,9H2,1-2H3/t11-/m1/s1 |
| InChIKey | YNADMCSWMQVZRR-LLVKDONJSA-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 | 5yfeIUNtkSy |
|---|---|
| Name | 4-(2-Chlorophenyl)heptan-2-one |
| 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/c1-3-6-11(9-10(2)15)12-7-4-5-8-13(12)14/h4-5,7-8,11H,3,6,9H2,1-2H3/t11-/m1/s1 |
| InChIKey | YNADMCSWMQVZRR-LLVKDONJSA-N |
| Molecular Weight | 224.731 g/mol |
| SMILES | C=1C=CC(=C(C1)[C@@](CC(C)=O)(CCC)[H])Cl |