| SpectraBase Compound ID | s23XEeTCza |
|---|---|
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6H,4H2 |
| InChIKey | GEPORLBYZLQDOB-UHFFFAOYSA-N |
| Mol Weight | 213.16 g/mol |
| Molecular Formula | C10H6F3NO |
| Exact Mass | 213.040148 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HkIE556PyRL |
|---|---|
| Name | 3-Trifluoromethylbenzoylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.040148305 u |
| Formula | C10H6F3NO |
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6H,4H2 |
| InChIKey | GEPORLBYZLQDOB-UHFFFAOYSA-N |
| Molecular Weight | 213.159 g/mol |
| SMILES | C1=CC=C(C=C1C(CC#N)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818793 |