| SpectraBase Spectrum ID |
CyCnY4NOF5a |
| Name |
3-Bromobenzylamine, N,N-dihexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.171813034 u |
| Formula |
C19H32BrN |
| InChI |
InChI=1S/C19H32BrN/c1-3-5-7-9-14-21(15-10-8-6-4-2)17-18-12-11-13-19(20)16-18/h11-13,16H,3-10,14-15,17H2,1-2H3 |
| InChIKey |
XZILDSCWBZOEAF-UHFFFAOYSA-N |
| Molecular Weight |
354.376 g/mol |
| SMILES |
C1=CC=C(C=C1Br)CN(CCCCCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951886 |
