| SpectraBase Compound ID | 4F4NqQ4KmCY |
|---|---|
| InChI | InChI=1S/C12H13ClO2/c13-10-5-7-11(8-6-10)15-12(14)9-3-1-2-4-9/h5-9H,1-4H2 |
| InChIKey | ZMLQNIGUNYBKJO-UHFFFAOYSA-N |
| Mol Weight | 224.69 g/mol |
| Molecular Formula | C12H13ClO2 |
| Exact Mass | 224.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bihF9GooE2 |
|---|---|
| Name | Cyclopentanecarboxylic acid, 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.060407357 u |
| Formula | C12H13ClO2 |
| InChI | InChI=1S/C12H13ClO2/c13-10-5-7-11(8-6-10)15-12(14)9-3-1-2-4-9/h5-9H,1-4H2 |
| InChIKey | ZMLQNIGUNYBKJO-UHFFFAOYSA-N |
| Molecular Weight | 224.687 g/mol |
| SMILES | C1CC(C(=O)OC2=CC=C(C=C2)Cl)CC1 |