| SpectraBase Compound ID | 1rpgacmlYT8 |
|---|---|
| InChI | InChI=1S/C12H12Cl2O2/c13-10-6-5-9(7-11(10)14)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2 |
| InChIKey | CIKRVIKIBNQLQZ-UHFFFAOYSA-N |
| Mol Weight | 259.13 g/mol |
| Molecular Formula | C12H12Cl2O2 |
| Exact Mass | 258.021435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExLBvcIQ52j |
|---|---|
| Name | Cyclopentanecarboxylic acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.021435024 u |
| Formula | C12H12Cl2O2 |
| InChI | InChI=1S/C12H12Cl2O2/c13-10-6-5-9(7-11(10)14)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2 |
| InChIKey | CIKRVIKIBNQLQZ-UHFFFAOYSA-N |
| Molecular Weight | 259.132 g/mol |
| SMILES | C1CC(C(=O)OC2=CC(=C(C=C2)Cl)Cl)CC1 |