| SpectraBase Compound ID | D9wdoIDelUp |
|---|---|
| InChI | InChI=1S/C9H6F4O2/c1-5(14)15-7-4-2-3-6(8(7)10)9(11,12)13/h2-4H,1H3 |
| InChIKey | PWOZKCOQHDMNJE-UHFFFAOYSA-N |
| Mol Weight | 222.14 g/mol |
| Molecular Formula | C9H6F4O2 |
| Exact Mass | 222.030392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7vmBw7A0Vn6 |
|---|---|
| Name | 2-Fluoro-3-(trifluoromethyl)phenol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.030392083 u |
| Formula | C9H6F4O2 |
| InChI | InChI=1S/C9H6F4O2/c1-5(14)15-7-4-2-3-6(8(7)10)9(11,12)13/h2-4H,1H3 |
| InChIKey | PWOZKCOQHDMNJE-UHFFFAOYSA-N |
| Molecular Weight | 222.139 g/mol |
| SMILES | C1(=C(C=CC=C1OC(C)=O)C(F)(F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830338 |