| SpectraBase Spectrum ID |
1emVRuxHeKa |
| Name |
1-Benzyl-N-(3-bromomethylphenyl)-N-(4-fluorophenyl)-piperidin-4-amine |
| Classification |
Fentanyl opioid |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
452.126340008 u |
| Formula |
C25H26BrFN2 |
| InChI |
InChI=1S/C25H26BrFN2/c26-22-8-4-7-21(17-22)19-29(24-11-9-23(27)10-12-24)25-13-15-28(16-14-25)18-20-5-2-1-3-6-20/h1-12,17,25H,13-16,18-19H2 |
| InChIKey |
SNDJLDKOZAPZEN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
453.399 g/mol |
| Nominal Mass |
452 u |
| Quality |
928 |
| Retention Index |
3261 |
| SMILES |
C1(N(C2=CC=C(C=C2)F)CC2=CC(=CC=C2)Br)CCN(CC1)CC1=CC=CC=C1 |
| SPLASH |
splash10-00dl-5910000000-f21c900410352ddc4b7b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025707 |
