| SpectraBase Compound ID | DIo6e78lKBE |
|---|---|
| InChI | InChI=1S/C8H6ClFO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3 |
| InChIKey | WBTHSEQMJLZATD-UHFFFAOYSA-N |
| Mol Weight | 188.59 g/mol |
| Molecular Formula | C8H6ClFO2 |
| Exact Mass | 188.004035 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 45C6SfoiTBL |
|---|---|
| Name | 3-Chloro-2-fluorobenzoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.004035294 u |
| Formula | C8H6ClFO2 |
| InChI | InChI=1S/C8H6ClFO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3 |
| InChIKey | WBTHSEQMJLZATD-UHFFFAOYSA-N |
| Molecular Weight | 188.585 g/mol |
| SMILES | C1=C(C(=C(C=C1)Cl)F)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954319 |