| SpectraBase Compound ID | 5zjSDp1mwrf |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-3-6-10(2)9-16-13(15)11-7-4-5-8-12(11)14/h4-5,7-8,10H,3,6,9H2,1-2H3 |
| InChIKey | POKLGWFGOJKHSV-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 | FgxX0mHtq17 |
|---|---|
| Name | 2-Chlorobenzoic acid, 2-methylpentyl 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/c1-3-6-10(2)9-16-13(15)11-7-4-5-8-12(11)14/h4-5,7-8,10H,3,6,9H2,1-2H3 |
| InChIKey | POKLGWFGOJKHSV-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | CCCC(COC(C1=C(C=CC=C1)Cl)=O)C |