| SpectraBase Compound ID | 1R9yfaJvVsK |
|---|---|
| InChI | InChI=1S/C11H19ClO2/c12-9-5-4-8-11(13)14-10-6-2-1-3-7-10/h10H,1-9H2 |
| InChIKey | NBXXEEVVFAFBPR-UHFFFAOYSA-N |
| Mol Weight | 218.72 g/mol |
| Molecular Formula | C11H19ClO2 |
| Exact Mass | 218.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cl9JYh6DJg |
|---|---|
| Name | 5-Chloropentanoic acid, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.107357550 u |
| Formula | C11H19ClO2 |
| InChI | InChI=1S/C11H19ClO2/c12-9-5-4-8-11(13)14-10-6-2-1-3-7-10/h10H,1-9H2 |
| InChIKey | NBXXEEVVFAFBPR-UHFFFAOYSA-N |
| Molecular Weight | 218.724 g/mol |
| SMILES | C1(OC(CCCCCl)=O)CCCCC1 |