| SpectraBase Compound ID | I62uRSvened |
|---|---|
| InChI | InChI=1S/C13H15ClO2/c14-11-6-4-5-10(9-11)13(15)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2 |
| InChIKey | ZTIHECJKSNZAQC-UHFFFAOYSA-N |
| Mol Weight | 238.71 g/mol |
| Molecular Formula | C13H15ClO2 |
| Exact Mass | 238.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZ0H95mKWk9 |
|---|---|
| Name | 3-Chlorobenzoic acid, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.076057421 u |
| Formula | C13H15ClO2 |
| InChI | InChI=1S/C13H15ClO2/c14-11-6-4-5-10(9-11)13(15)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2 |
| InChIKey | ZTIHECJKSNZAQC-UHFFFAOYSA-N |
| Molecular Weight | 238.714 g/mol |
| SMILES | C1=C(C=CC=C1Cl)C(=O)OC1CCCCC1 |