| SpectraBase Compound ID | DUD4P1VJKST |
|---|---|
| InChI | InChI=1S/C11H11F3O/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h3,5-7H,2,4H2,1H3 |
| InChIKey | OLROVMGGICDDJG-UHFFFAOYSA-N |
| Mol Weight | 216.2 g/mol |
| Molecular Formula | C11H11F3O |
| Exact Mass | 216.076199 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2C6cRq37FWX |
|---|---|
| Name | 3'-(Trifluoromethyl)butyrophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.076199462 u |
| Formula | C11H11F3O |
| InChI | InChI=1S/C11H11F3O/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h3,5-7H,2,4H2,1H3 |
| InChIKey | OLROVMGGICDDJG-UHFFFAOYSA-N |
| Molecular Weight | 216.203 g/mol |
| SMILES | C(F)(C=1C=CC=C(C1)C(=O)CCC)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.932392 |