| SpectraBase Spectrum ID |
2owcVNL1iD2 |
| Name |
2C-T-31 N-(4-bromobenzyl)-A (-2H) |
| Classification |
Designer drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
537.058497646 u |
| Formula |
C25H23BrF3NO2S |
| InChI |
InChI=1S/C25H23BrF3NO2S/c1-31-22-14-24(33-16-18-3-7-20(8-4-18)25(27,28)29)23(32-2)13-19(22)11-12-30-15-17-5-9-21(26)10-6-17/h3-10,13-15H,11-12,16H2,1-2H3/b30-15+ |
| InChIKey |
SQXVIXAOURZUHR-FJEPWZHXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
538.423 g/mol |
| Nominal Mass |
537 u |
| Quality |
854 |
| Retention Index |
3785 |
| SMILES |
C1(=C(C=C(C(=C1)OC)CC\N=C\C=1C=CC(=CC1)Br)OC)SCC=1C=CC(C(F)(F)F)=CC1 |
| SPLASH |
splash10-0006-2904000000-95fdfdc08474cf105b0c |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-Bromophenyl)-N-(2-[2,5-dimethoxy]-4-(([4-(trifluoromethyl)phenyl]methyl)sulfanyl)ethyl)-\rmethanimine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021299 |
