| SpectraBase Compound ID | 6zM9wL00D6E |
|---|---|
| InChI | InChI=1S/C9H7Cl3O3/c10-5-3-7(12)8(4-6(5)11)15-2-1-9(13)14/h3-4H,1-2H2,(H,13,14) |
| InChIKey | TZMWJEKNHBCUKP-UHFFFAOYSA-N |
| Mol Weight | 269.51 g/mol |
| Molecular Formula | C9H7Cl3O3 |
| Exact Mass | 267.946077 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7XfQXorsKOV |
|---|---|
| Name | 3-(2,4,5-Trichlorophenoxy)propionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.946077182 u |
| Formula | C9H7Cl3O3 |
| InChI | InChI=1S/C9H7Cl3O3/c10-5-3-7(12)8(4-6(5)11)15-2-1-9(13)14/h3-4H,1-2H2,(H,13,14) |
| InChIKey | TZMWJEKNHBCUKP-UHFFFAOYSA-N |
| Molecular Weight | 269.511 g/mol |
| SMILES | OC(=O)CCOC1=CC(Cl)=C(Cl)C=C1Cl |
| Spectrum/Structure Validation Score (Raman) | 0.85873 |