| SpectraBase Spectrum ID |
L9SVJCRGN8J |
| Name |
4-Bromobenzylamine, N,N-diheptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.203113163 u |
| Formula |
C21H36BrN |
| InChI |
InChI=1S/C21H36BrN/c1-3-5-7-9-11-17-23(18-12-10-8-6-4-2)19-20-13-15-21(22)16-14-20/h13-16H,3-12,17-19H2,1-2H3 |
| InChIKey |
WPFWHPINPDCWSI-UHFFFAOYSA-N |
| Molecular Weight |
382.430 g/mol |
| SMILES |
C1(=CC=C(C=C1)CN(CCCCCCC)CCCCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870086 |
