| SpectraBase Spectrum ID |
CTOqPwjjNfM |
| Name |
3C-FP N-(4-bromobenzyl)-A (-2H) |
| Classification |
Designer drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
437.100184829 u |
| Formula |
C21H25BrFNO3 |
| InChI |
InChI=1S/C21H25BrFNO3/c1-15(24-14-16-5-7-18(22)8-6-16)11-17-12-19(25-2)21(20(13-17)26-3)27-10-4-9-23/h5-8,12-15H,4,9-11H2,1-3H3/b24-14+ |
| InChIKey |
HGBQERDOQLGWCS-ZVHZXABRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
438.337 g/mol |
| Nominal Mass |
437 u |
| Quality |
948 |
| Retention Index |
2723 |
| SMILES |
C1(=C(C=C(C=C1OC)CC(\N=C\C=1C=CC(=CC1)Br)C)OC)OCCCF |
| SPLASH |
splash10-03di-2790000000-9b4884e6221d1feb7b33 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-Bromophenyl)-N-[1-(4-[3-fluoropropoxy]-3,5-dimethoxyphenyl)propan-2-yl]methanimine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021307 |
