| SpectraBase Compound ID | 4xRjofZjixB |
|---|---|
| InChI | InChI=1S/C14H17ClO2/c1-17-13(16)14(9-3-2-4-10-14)11-5-7-12(15)8-6-11/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | SHDCRBFNUMCGRF-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 | FXL1P6OtiTI |
|---|---|
| Name | 1-(p-Chlorophenyl)cyclohexanecarboxylic acid, methyl 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/c1-17-13(16)14(9-3-2-4-10-14)11-5-7-12(15)8-6-11/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | SHDCRBFNUMCGRF-UHFFFAOYSA-N |
| Molecular Weight | 252.741 g/mol |
| SMILES | C1C(CCCC1)(C=1C=CC(=CC1)Cl)C(=O)OC |