| SpectraBase Compound ID | CnNp9MdTGCa |
|---|---|
| InChI | InChI=1S/C13H16ClFO/c14-10-4-2-1-3-5-13(16)11-6-8-12(15)9-7-11/h6-9H,1-5,10H2 |
| InChIKey | CIIVWKNBUBKCJA-UHFFFAOYSA-N |
| Mol Weight | 242.72 g/mol |
| Molecular Formula | C13H16ClFO |
| Exact Mass | 242.087371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FSHJcARUgU |
|---|---|
| Name | 7-Chloro-1-(4-fluorophenyl)heptan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.087370997 u |
| Formula | C13H16ClFO |
| InChI | InChI=1S/C13H16ClFO/c14-10-4-2-1-3-5-13(16)11-6-8-12(15)9-7-11/h6-9H,1-5,10H2 |
| InChIKey | CIIVWKNBUBKCJA-UHFFFAOYSA-N |
| Molecular Weight | 242.721 g/mol |
| SMILES | C(CCCCCCCl)(=O)C1=CC=C(C=C1)F |