SpectraBase Spectrum ID |
D5FzXNV36k6 |
Name |
N-(3-Bromobenzyl)-4-methoxy-N-[2-(thiophen-2-yl)ethyl]aniline |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
401.044898441 u |
Formula |
C20H20BrNOS |
InChI |
InChI=1S/C20H20BrNOS/c1-23-19-9-7-18(8-10-19)22(12-11-20-6-3-13-24-20)15-16-4-2-5-17(21)14-16/h2-10,13-14H,11-12,15H2,1H3 |
InChIKey |
YXLDWKUBKCIOOT-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
402.350 g/mol |
Nominal Mass |
401 u |
Quality |
898 |
Retention Index |
3119 |
SMILES |
C1(N(CC2=CC(=CC=C2)Br)CCC=2SC=CC2)=CC=C(C=C1)OC |
SPLASH |
splash10-0pb9-0309000000-aa4a8bd1a49e533ade41 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Technique |
GC/MS |
Wiley ID |
DD2024_026866 |