SpectraBase Spectrum ID |
2nUR4PWlZpo |
Name |
N-3-Bromobenzyl-1-[2-(4-fluorophenyl)ethyl]-N-3-methylphenylpiperidin-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 |
480.157640137 u |
Formula |
C27H30BrFN2 |
InChI |
InChI=1S/C27H30BrFN2/c1-21-4-2-7-27(18-21)31(20-23-5-3-6-24(28)19-23)26-13-16-30(17-14-26)15-12-22-8-10-25(29)11-9-22/h2-11,18-19,26H,12-17,20H2,1H3 |
InChIKey |
WPUHCKCNRZSPHS-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
481.453 g/mol |
Nominal Mass |
480 u |
Quality |
994 |
Retention Index |
3393 |
SMILES |
C1(N(C=2C=C(C=CC2)C)CC=2C=C(C=CC2)Br)CCN(CC1)CCC=1C=CC(=CC1)F |
SPLASH |
splash10-006t-9616000000-cf29480a6d7a70e92f60 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Fentanyl(-propionyl+(3-bromobenzyl)-phenyl+(3-methylphenyl)-phenethyl+[2-(4-fluorophenylethyl)]) |
Technique |
GC/MS |
Wiley ID |
DD2024_030326 |