| SpectraBase Spectrum ID |
L5gPxhViqIe |
| Name |
4-Bromobenzylamine, N,N-dioctyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.234413292 u |
| Formula |
C23H40BrN |
| InChI |
InChI=1S/C23H40BrN/c1-3-5-7-9-11-13-19-25(20-14-12-10-8-6-4-2)21-22-15-17-23(24)18-16-22/h15-18H,3-14,19-21H2,1-2H3 |
| InChIKey |
RVTWAOXINZKMOQ-UHFFFAOYSA-N |
| Molecular Weight |
410.484 g/mol |
| SMILES |
C1(=CC=C(C=C1)CN(CCCCCCCC)CCCCCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896949 |
