| SpectraBase Compound ID | 4Yqz6dx3Zfc |
|---|---|
| InChI | InChI=1S/C9H8F3N/c10-9(11,12)8-3-1-2-6-4-13-5-7(6)8/h1-3,13H,4-5H2 |
| InChIKey | GEPUADVOHGHQBZ-UHFFFAOYSA-N |
| Mol Weight | 187.17 g/mol |
| Molecular Formula | C9H8F3N |
| Exact Mass | 187.060884 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AYUkZc5Ve8N |
|---|---|
| Name | 4-(Trifluoromethyl)isoindoline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.060883751 u |
| Formula | C9H8F3N |
| InChI | InChI=1S/C9H8F3N/c10-9(11,12)8-3-1-2-6-4-13-5-7(6)8/h1-3,13H,4-5H2 |
| InChIKey | GEPUADVOHGHQBZ-UHFFFAOYSA-N |
| Molecular Weight | 187.165 g/mol |
| SMILES | C(F)(F)(F)C1=C2C(=CC=C1)CNC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880292 |