| SpectraBase Compound ID | 2tSUgrQ7ZCC |
|---|---|
| InChI | InChI=1S/C15H16BrN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2 |
| InChIKey | GVTVQPTXNOXUCH-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 | 9DgaktPx3UM |
|---|---|
| Name | Phenethylamine N-(4-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/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2 |
| InChIKey | GVTVQPTXNOXUCH-UHFFFAOYSA-N |
| SMILES | C=1(CNCCC2=CC=CC=C2)C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813645 |