| SpectraBase Compound ID | C5OdpsiqKpq |
|---|---|
| InChI | InChI=1S/C13H20BrN/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h4-8,13,15H,2-3,9-11H2,1H3 |
| InChIKey | PPHXZGHPNKUYQW-UHFFFAOYSA-N |
| Mol Weight | 270.21 g/mol |
| Molecular Formula | C13H20BrN |
| Exact Mass | 269.077913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2dRGUqgvNGI |
|---|---|
| Name | dl-N-Benzyl-1-(bromomethyl)pentylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.077912648 u |
| Formula | C13H20BrN |
| InChI | InChI=1S/C13H20BrN/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h4-8,13,15H,2-3,9-11H2,1H3 |
| InChIKey | PPHXZGHPNKUYQW-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)CNC(CCCC)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980139 |