| SpectraBase Compound ID | 8A7gtJOYFXD |
|---|---|
| InChI | InChI=1S/C9H9F4N/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13/h1-4,14H,5-6H2 |
| InChIKey | HXYJDQROGDYQKO-UHFFFAOYSA-N |
| Mol Weight | 207.17 g/mol |
| Molecular Formula | C9H9F4N |
| Exact Mass | 207.067112 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6zFX3Zuhzw3 |
|---|---|
| Name | 2-Fluorobenzylamine tfa (-o,+2H) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.067111946 u |
| Formula | C9H9F4N |
| InChI | InChI=1S/C9H9F4N/c10-8-4-2-1-3-7(8)5-14-6-9(11,12)13/h1-4,14H,5-6H2 |
| InChIKey | HXYJDQROGDYQKO-UHFFFAOYSA-N |
| Molecular Weight | 207.172 g/mol |
| SMILES | C(CNCC=1C(=CC=CC1)F)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844203 |