| SpectraBase Compound ID | 3ZcKhnxxQY1 |
|---|---|
| InChI | InChI=1S/C10H11BrF3N/c11-9-3-1-2-8(6-9)4-5-15-7-10(12,13)14/h1-3,6,15H,4-5,7H2 |
| InChIKey | JXRNGRCJEPECLX-UHFFFAOYSA-N |
| Mol Weight | 282.1 g/mol |
| Molecular Formula | C10H11BrF3N |
| Exact Mass | 281.002697 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4g2YC3tvRAm |
|---|---|
| Name | 3-Bromophenethylamine tfa (-o,+2H) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.002696847 u |
| Formula | C10H11BrF3N |
| InChI | InChI=1S/C10H11BrF3N/c11-9-3-1-2-8(6-9)4-5-15-7-10(12,13)14/h1-3,6,15H,4-5,7H2 |
| InChIKey | JXRNGRCJEPECLX-UHFFFAOYSA-N |
| Molecular Weight | 282.104 g/mol |
| SMILES | C(CNCCC=1C=C(C=CC1)Br)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847026 |