| SpectraBase Compound ID | DBjWj32uGUE |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c14-10-5-4-8-13(15)16-11-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
| InChIKey | ILFUFIPEFYROMR-UHFFFAOYSA-N |
| Mol Weight | 240.73 g/mol |
| Molecular Formula | C13H17ClO2 |
| Exact Mass | 240.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eUqeLJC0tS |
|---|---|
| Name | 5-Chloropentanoic acid, 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.091707485 u |
| Formula | C13H17ClO2 |
| InChI | InChI=1S/C13H17ClO2/c14-10-5-4-8-13(15)16-11-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
| InChIKey | ILFUFIPEFYROMR-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | C1=CC=CC=C1CCOC(CCCCCl)=O |