| SpectraBase Compound ID | 4d8OweBt4uY |
|---|---|
| InChI | InChI=1S/C10H9Cl3O2/c1-6-3-7(2)5-8(4-6)15-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey | RKKOPRPERWQZIH-UHFFFAOYSA-N |
| Mol Weight | 267.54 g/mol |
| Molecular Formula | C10H9Cl3O2 |
| Exact Mass | 265.966813 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2oqS6sgSydz |
|---|---|
| Name | Trichloroacetic acid, 3,5-dimethylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.966812628 u |
| Formula | C10H9Cl3O2 |
| InChI | InChI=1S/C10H9Cl3O2/c1-6-3-7(2)5-8(4-6)15-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey | RKKOPRPERWQZIH-UHFFFAOYSA-N |
| SMILES | CC1=CC(C)=CC(=C1)OC(C(Cl)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849662 |