| SpectraBase Compound ID | DRtdML25zXB |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9H,2-4,7,10H2,1H3 |
| InChIKey | LWXVSNHMEABLCY-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 | HdmsgykvVRI |
|---|---|
| Name | 2-Chlorobenzoic acid, hexyl 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/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9H,2-4,7,10H2,1H3 |
| InChIKey | LWXVSNHMEABLCY-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | C(=O)(OCCCCCC)C=1C(Cl)=CC=CC1 |