| SpectraBase Compound ID | BMj1CUdjBLN |
|---|---|
| InChI | InChI=1S/C7H12Cl2O2/c8-4-2-1-3-7(10)11-6-5-9/h1-6H2 |
| InChIKey | DVEXCEKJRHSXDC-UHFFFAOYSA-N |
| Mol Weight | 199.08 g/mol |
| Molecular Formula | C7H12Cl2O2 |
| Exact Mass | 198.021435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FU0pHgAb0F |
|---|---|
| Name | 5-Chlorovaleric acid, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.021435024 u |
| Formula | C7H12Cl2O2 |
| InChI | InChI=1S/C7H12Cl2O2/c8-4-2-1-3-7(10)11-6-5-9/h1-6H2 |
| InChIKey | DVEXCEKJRHSXDC-UHFFFAOYSA-N |
| Molecular Weight | 199.077 g/mol |
| SMILES | C(OCCCl)(CCCCCl)=O |