| SpectraBase Spectrum ID |
8HBIuXo1BSK |
| Name |
5-TOET N-(4-bromobenzyl)-A (-2H) |
| Classification |
Designer drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
405.076198570 u |
| Formula |
C20H24BrNOS |
| InChI |
InChI=1S/C20H24BrNOS/c1-5-16-11-19(23-3)17(12-20(16)24-4)10-14(2)22-13-15-6-8-18(21)9-7-15/h6-9,11-14H,5,10H2,1-4H3/b22-13+ |
| InChIKey |
XMLZOTMWVMOFGK-LPYMAVHISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
406.382 g/mol |
| Nominal Mass |
405 u |
| Quality |
920 |
| Retention Index |
2679 |
| SMILES |
C=1(C(=CC(=C(C1)SC)CC)OC)CC(\N=C\C=1C=CC(=CC1)Br)C |
| SPLASH |
splash10-03di-1690000000-3bf623eebd51c89d5d09 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-Bromophenyl)-N-(1-[4-ethyl-2-methoxy-5-methylthiophenyl]propan-2-yl)methanimine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021278 |
