SpectraBase Spectrum ID |
4D7JicetYeJ |
Name |
Decylamine, 10-(p-bromophenoxy)-N,N-diethyl-, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
419.159055450 u |
Formula |
C20H35BrClNO |
InChI |
InChI=1S/C20H34BrNO.ClH/c1-3-22(4-2)17-11-9-7-5-6-8-10-12-18-23-20-15-13-19(21)14-16-20;/h13-16H,3-12,17-18H2,1-2H3;1H |
InChIKey |
PALRWUGRQCQAQX-UHFFFAOYSA-N |
Molecular Weight |
420.863 g/mol |
SMILES |
[NH+](CCCCCCCCCCOC1=CC=C(C=C1)Br)(CC)CC.[Cl-] |
Spectrum/Structure Validation Score (Raman) |
0.944287 |