| SpectraBase Compound ID | 3FFVVPX56dD |
|---|---|
| InChI | InChI=1S/C9H7F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | NCJZVRPXSSYDBG-UHFFFAOYSA-N |
| Mol Weight | 204.15 g/mol |
| Molecular Formula | C9H7F3O2 |
| Exact Mass | 204.039814 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | RI51rDzJDK |
|---|---|
| Name | 4'-Methoxy-2,2,2-trifluoroacetophenone |
| 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/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | NCJZVRPXSSYDBG-UHFFFAOYSA-N |
| Molecular Weight | 204.148 g/mol |
| SMILES | C(F)(F)(F)C(C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.986979 |