| SpectraBase Compound ID | Dzd901cU4BO |
|---|---|
| InChI | InChI=1S/C13H17ClO/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2 |
| InChIKey | IBUIBNBWCOAMTI-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 | 4INBEScAafN |
|---|---|
| Name | 7-Chloranyl-1-phenyl-heptan-1-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/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2 |
| InChIKey | IBUIBNBWCOAMTI-UHFFFAOYSA-N |
| Molecular Weight | 224.731 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)CCCCCCCl |