| SpectraBase Compound ID | IDFYAHzgFyW |
|---|---|
| InChI | InChI=1S/C6H10Cl2O2/c1-6(2,4(7)8)5(9)10-3/h4H,1-3H3 |
| InChIKey | GERHLBHPPYOHHG-UHFFFAOYSA-N |
| Mol Weight | 185.05 g/mol |
| Molecular Formula | C6H10Cl2O2 |
| Exact Mass | 184.005785 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BnEv1VfTucb |
|---|---|
| Name | 3,3-Dichloro-2,2-dimethylpropionic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.005784960 u |
| Formula | C6H10Cl2O2 |
| InChI | InChI=1S/C6H10Cl2O2/c1-6(2,4(7)8)5(9)10-3/h4H,1-3H3 |
| InChIKey | GERHLBHPPYOHHG-UHFFFAOYSA-N |
| Molecular Weight | 185.050 g/mol |
| SMILES | COC(C(C(Cl)Cl)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.901008 |