| SpectraBase Compound ID | 4G4VYefUjnS |
|---|---|
| InChI | InChI=1S/C14H17ClO2/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2 |
| InChIKey | UEGFSNRJGAKXDY-UHFFFAOYSA-N |
| Mol Weight | 252.74 g/mol |
| Molecular Formula | C14H17ClO2 |
| Exact Mass | 252.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8v69t5s7V0g |
|---|---|
| Name | 3-Chlorobenzoic acid, cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.091707485 u |
| Formula | C14H17ClO2 |
| InChI | InChI=1S/C14H17ClO2/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2 |
| InChIKey | UEGFSNRJGAKXDY-UHFFFAOYSA-N |
| Molecular Weight | 252.741 g/mol |
| SMILES | C1=C(C=CC=C1Cl)C(=O)OCC1CCCCC1 |