| SpectraBase Compound ID | IIMBS9Z8LZO |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2/c10-5-9(12)13-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2 |
| InChIKey | OPNRROQNLHEHOY-UHFFFAOYSA-N |
| Mol Weight | 219.07 g/mol |
| Molecular Formula | C9H8Cl2O2 |
| Exact Mass | 217.990135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6210oRbHKec |
|---|---|
| Name | Chloroacetic acid, 4-chlorobenzyl 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/c10-5-9(12)13-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2 |
| InChIKey | OPNRROQNLHEHOY-UHFFFAOYSA-N |
| Molecular Weight | 219.067 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)COC(=O)CCl |