| SpectraBase Compound ID | JjD5TYH5q57 |
|---|---|
| InChI | InChI=1S/C6H9Cl3O2/c1-5(2,4(10)11-3)6(7,8)9/h1-3H3 |
| InChIKey | MDMJHZQVLMUFJK-UHFFFAOYSA-N |
| Mol Weight | 219.49 g/mol |
| Molecular Formula | C6H9Cl3O2 |
| Exact Mass | 217.966813 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I4IrRYfbQS8 |
|---|---|
| Name | Methyl 3,3,3-trichloro-2,2-dimethylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.966812628 u |
| Formula | C6H9Cl3O2 |
| InChI | InChI=1S/C6H9Cl3O2/c1-5(2,4(10)11-3)6(7,8)9/h1-3H3 |
| InChIKey | MDMJHZQVLMUFJK-UHFFFAOYSA-N |
| Molecular Weight | 219.495 g/mol |
| SMILES | C(C(C(Cl)(Cl)Cl)(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914438 |