| SpectraBase Compound ID | 6qhA4Gn12X9 |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | OPQYFNRLWBWCST-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ISFkoh5fRCB |
|---|---|
| Name | (o-Chlorophenoxy)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.008371782 u |
| Formula | C8H7ClO3 |
| InChI | InChI=1S/C8H7ClO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | OPQYFNRLWBWCST-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | OC(COC1=C(C=CC=C1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.978514 |