| SpectraBase Compound ID | In5a5ZXPxTS |
|---|---|
| InChI | InChI=1S/C8H6ClFO3/c1-12-8(11)13-7-5(9)3-2-4-6(7)10/h2-4H,1H3 |
| InChIKey | ARJXKONBUHGIAK-UHFFFAOYSA-N |
| Mol Weight | 204.58 g/mol |
| Molecular Formula | C8H6ClFO3 |
| Exact Mass | 203.99895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4yjiymZNs1W |
|---|---|
| Name | 2-Chloro-6-fluorophenol, o-methoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.998949913 u |
| Formula | C8H6ClFO3 |
| InChI | InChI=1S/C8H6ClFO3/c1-12-8(11)13-7-5(9)3-2-4-6(7)10/h2-4H,1H3 |
| InChIKey | ARJXKONBUHGIAK-UHFFFAOYSA-N |
| Molecular Weight | 204.584 g/mol |
| SMILES | C1(=CC=CC(=C1OC(OC)=O)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880011 |