| SpectraBase Compound ID | FDwfZZFeGZy |
|---|---|
| InChI | InChI=1S/C11H7F3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChIKey | GOBHSUAEQGWYBT-UHFFFAOYSA-N |
| Mol Weight | 196.17 g/mol |
| Molecular Formula | C11H7F3 |
| Exact Mass | 196.049985 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GbiSd4mg5S0 |
|---|---|
| Name | 1-Trifluoromethylnaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.049984714 u |
| Formula | C11H7F3 |
| InChI | InChI=1S/C11H7F3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChIKey | GOBHSUAEQGWYBT-UHFFFAOYSA-N |
| Molecular Weight | 196.172 g/mol |
| SMILES | C(F)(C=1C2=C(C=CC1)C=CC=C2)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877969 |