| SpectraBase Compound ID | 6Sq5J5EO9Pv |
|---|---|
| InChI | InChI=1S/C10H9Cl3O2/c1-6-3-4-8(5-7(6)2)15-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey | JVNGSJVUTNEEBX-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 | 7roip7FcjO5 |
|---|---|
| Name | Trichloroacetic acid, 3,4-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/c1-6-3-4-8(5-7(6)2)15-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey | JVNGSJVUTNEEBX-UHFFFAOYSA-N |
| SMILES | C(C(=O)OC1=CC=C(C)C(C)=C1)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933245 |