| SpectraBase Spectrum ID |
G6MsTj91mj3 |
| Name |
N,N-Dibutyl-2-chlorobenzylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.159727477 u |
| Formula |
C15H24ClN |
| InChI |
InChI=1S/C15H24ClN/c1-3-5-11-17(12-6-4-2)13-14-9-7-8-10-15(14)16/h7-10H,3-6,11-13H2,1-2H3 |
| InChIKey |
KRGMOTXZBQZQTJ-UHFFFAOYSA-N |
| Molecular Weight |
253.817 g/mol |
| SMILES |
C=1(C(=CC=CC1)Cl)CN(CCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877539 |
