| SpectraBase Compound ID | 7xEaysQUHT5 |
|---|---|
| InChI | InChI=1S/C8H6Cl2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | GWTUGCOXTFFBMM-UHFFFAOYSA-N |
| Mol Weight | 205.04 g/mol |
| Molecular Formula | C8H6Cl2O2 |
| Exact Mass | 203.974485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6NsuazqSCwV |
|---|---|
| Name | 2,5-Dichlorophenylacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.974484831 u |
| Formula | C8H6Cl2O2 |
| InChI | InChI=1S/C8H6Cl2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | GWTUGCOXTFFBMM-UHFFFAOYSA-N |
| Molecular Weight | 205.040 g/mol |
| SMILES | C1(Cl)=C(C=C(C=C1)Cl)CC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985267 |