For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Benzyl-N-(3-fluorophenyl)-N-(3-iodobenzyl)piperidin-4-amine
SpectraBase Compound ID HfxIEmI8FU9
InChI InChI=1S/C25H26FIN2/c26-22-9-5-11-25(17-22)29(19-21-8-4-10-23(27)16-21)24-12-14-28(15-13-24)18-20-6-2-1-3-7-20/h1-11,16-17,24H,12-15,18-19H2
InChIKey JRPRNUCUNLSNIG-UHFFFAOYSA-N
Mol Weight 500.4 g/mol
Molecular Formula C25H26FIN2
Exact Mass 500.112472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JFHSpABk1kO
Name 1-Benzyl-N-(3-fluorophenyl)-N-(3-iodobenzyl)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 500.112472008 u
Formula C25H26FIN2
InChI InChI=1S/C25H26FIN2/c26-22-9-5-11-25(17-22)29(19-21-8-4-10-23(27)16-21)24-12-14-28(15-13-24)18-20-6-2-1-3-7-20/h1-11,16-17,24H,12-15,18-19H2
InChIKey JRPRNUCUNLSNIG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 500.400 g/mol
Nominal Mass 500 u
Quality 1000
Retention Index 3418
SMILES C1(N(C2CCN(CC=3C=CC=CC3)CC2)CC=2C=C(C=CC2)I)=CC(=CC=C1)F
SPLASH splash10-00dl-3910000000-c026656dd6292360aadc
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+3-iodobenzyl-phenyl+3-fluorophenyl-phenethyl+benzyl)
Technique GC/MS
Wiley ID DD2024_026017