| SpectraBase Compound ID | FwpVCLrCq6n |
|---|---|
| InChI | InChI=1S/C10H9F4NO/c11-8-3-1-7(2-4-8)5-6-15-9(16)10(12,13)14/h1-4H,5-6H2,(H,15,16) |
| InChIKey | HGRAXJNODUZXRZ-UHFFFAOYSA-N |
| Mol Weight | 235.18 g/mol |
| Molecular Formula | C10H9F4NO |
| Exact Mass | 235.062027 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 68g8cXdib3O |
|---|---|
| Name | 4-Fluorophenethylamine tfa |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.062026565 u |
| Formula | C10H9F4NO |
| InChI | InChI=1S/C10H9F4NO/c11-8-3-1-7(2-4-8)5-6-15-9(16)10(12,13)14/h1-4H,5-6H2,(H,15,16) |
| InChIKey | HGRAXJNODUZXRZ-UHFFFAOYSA-N |
| Molecular Weight | 235.182 g/mol |
| SMILES | C(C(NCCC=1C=CC(=CC1)F)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90882 |