| SpectraBase Compound ID | FrwU78AaRuZ |
|---|---|
| InChI | InChI=1S/C15H16BrN/c16-15-8-4-7-14(11-15)12-17-10-9-13-5-2-1-3-6-13/h1-8,11,17H,9-10,12H2 |
| InChIKey | KVEARNUHJLTCKJ-UHFFFAOYSA-N |
| Mol Weight | 290.2 g/mol |
| Molecular Formula | C15H16BrN |
| Exact Mass | 289.046613 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G99mYYvNGf1 |
|---|---|
| Name | Phenethylamine N-(3-bromobenzyl) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.046612519 u |
| Formula | C15H16BrN |
| InChI | InChI=1S/C15H16BrN/c16-15-8-4-7-14(11-15)12-17-10-9-13-5-2-1-3-6-13/h1-8,11,17H,9-10,12H2 |
| InChIKey | KVEARNUHJLTCKJ-UHFFFAOYSA-N |
| SMILES | C1(CNCCC=2C=CC=CC2)=CC(=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97382 |