| SpectraBase Spectrum ID |
JleIuOZxiM0 |
| Name |
3C-DFE N-(4-bromobenzyl)-A (-2H) |
| Classification |
Designer drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
441.075112895 u |
| Formula |
C20H22BrF2NO3 |
| InChI |
InChI=1S/C20H22BrF2NO3/c1-13(24-11-14-4-6-16(21)7-5-14)8-15-9-17(25-2)20(18(10-15)26-3)27-12-19(22)23/h4-7,9-11,13,19H,8,12H2,1-3H3/b24-11+ |
| InChIKey |
ASFJUDVHASIWDI-BHGWPJFGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
442.301 g/mol |
| Nominal Mass |
441 u |
| Quality |
984 |
| Retention Index |
2569 |
| SMILES |
C1(=C(C=C(C=C1OC)CC(\N=C\C=1C=CC(=CC1)Br)C)OC)OCC(F)F |
| SPLASH |
splash10-03di-1390000000-1327812f0e67c6cec4d5 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-Bromophenyl)-N-(1-[4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl]propan-2-yl)methanimine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021315 |
