| SpectraBase Compound ID | 6RqAi1xeBhi |
|---|---|
| InChI | InChI=1S/C11H19Cl3O2/c1-8(7-10(2,3)4)5-6-16-9(15)11(12,13)14/h8H,5-7H2,1-4H3 |
| InChIKey | OTHMKENSYKPGGL-UHFFFAOYSA-N |
| Mol Weight | 289.63 g/mol |
| Molecular Formula | C11H19Cl3O2 |
| Exact Mass | 288.045063 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DjfTtzGSWMb |
|---|---|
| Name | Trichloroacetic acid, 3,5,5-trimethylhexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.045062950 u |
| Formula | C11H19Cl3O2 |
| InChI | InChI=1S/C11H19Cl3O2/c1-8(7-10(2,3)4)5-6-16-9(15)11(12,13)14/h8H,5-7H2,1-4H3 |
| InChIKey | OTHMKENSYKPGGL-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)(Cl)C(OCCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.951787 |