| SpectraBase Compound ID | CUrfx7SKtc8 |
|---|---|
| InChI | InChI=1S/C9H7F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | SKDHRHGYJIMXRJ-UHFFFAOYSA-N |
| Mol Weight | 204.15 g/mol |
| Molecular Formula | C9H7F3O2 |
| Exact Mass | 204.039814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3s9Jr5Q25tu |
|---|---|
| Name | 2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.039813952 u |
| Formula | C9H7F3O2 |
| InChI | InChI=1S/C9H7F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | SKDHRHGYJIMXRJ-UHFFFAOYSA-N |
| Molecular Weight | 204.148 g/mol |
| SMILES | C1=C(C(=CC=C1)C(=O)C(F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829335 |