| SpectraBase Compound ID | JW9sOyqiQZD |
|---|---|
| InChI | InChI=1S/C8H5F3O2/c1-4(12)13-6-3-2-5(9)7(10)8(6)11/h2-3H,1H3 |
| InChIKey | VSJNDQWKACYTLA-UHFFFAOYSA-N |
| Mol Weight | 190.12 g/mol |
| Molecular Formula | C8H5F3O2 |
| Exact Mass | 190.024164 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FLsfLyD4upW |
|---|---|
| Name | 2,3,4-Trifluorophenol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.024163888 u |
| Formula | C8H5F3O2 |
| InChI | InChI=1S/C8H5F3O2/c1-4(12)13-6-3-2-5(9)7(10)8(6)11/h2-3H,1H3 |
| InChIKey | VSJNDQWKACYTLA-UHFFFAOYSA-N |
| Molecular Weight | 190.121 g/mol |
| SMILES | C1(=C(C(=CC=C1OC(C)=O)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844307 |