| SpectraBase Compound ID | HnaUhm637DA |
|---|---|
| InChI | InChI=1S/C13H15ClO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2 |
| InChIKey | XYZQVOFIZXZLFY-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 | 9aIPFpPPb6c |
|---|---|
| Name | 4-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/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2 |
| InChIKey | XYZQVOFIZXZLFY-UHFFFAOYSA-N |
| Molecular Weight | 238.714 g/mol |
| SMILES | C1(CCCCC1)OC(=O)C=1C=CC(=CC1)Cl |