| SpectraBase Compound ID | DOmnFKbLfTn |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2 |
| InChIKey | OPAWQQDDCKSJAC-UHFFFAOYSA-N |
| Mol Weight | 219.07 g/mol |
| Molecular Formula | C9H8Cl2O2 |
| Exact Mass | 217.990135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HTbySHs2F49 |
|---|---|
| Name | 2-Chlorobenzoic acid, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.990134896 u |
| Formula | C9H8Cl2O2 |
| InChI | InChI=1S/C9H8Cl2O2/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2 |
| InChIKey | OPAWQQDDCKSJAC-UHFFFAOYSA-N |
| Molecular Weight | 219.067 g/mol |
| SMILES | C(C1=C(C=CC=C1)Cl)(OCCCl)=O |