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N-(3-Fluorophenyl)-N-(3-iodobenzyl)-1-[2-(thiophen-2-yl)ethyl]piperidin-4-amine
SpectraBase Compound ID 6QERFUA1hH3
InChI InChI=1S/C24H26FIN2S/c25-20-5-2-7-23(17-20)28(18-19-4-1-6-21(26)16-19)22-9-12-27(13-10-22)14-11-24-8-3-15-29-24/h1-8,15-17,22H,9-14,18H2
InChIKey DMKXUSKUPXDKSP-UHFFFAOYSA-N
Mol Weight 520.45 g/mol
Molecular Formula C24H26FIN2S
Exact Mass 520.084543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lVDnP9RR9E
Name N-(3-Fluorophenyl)-N-(3-iodobenzyl)-1-[2-(thiophen-2-yl)ethyl]piperidin-4-amine
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 520.084543182 u
Formula C24H26FIN2S
InChI InChI=1S/C24H26FIN2S/c25-20-5-2-7-23(17-20)28(18-19-4-1-6-21(26)16-19)22-9-12-27(13-10-22)14-11-24-8-3-15-29-24/h1-8,15-17,22H,9-14,18H2
InChIKey DMKXUSKUPXDKSP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 520.449 g/mol
Nominal Mass 520 u
Quality 958
Retention Index 3657
SMILES C1(N(C2=CC(=CC=C2)F)CC=2C=C(C=CC2)I)CCN(CC1)CCC=1SC=CC1
SPLASH splash10-00di-6225900000-51067df210081726692e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+3-iodobenzyl-phenyl+3-fluorophenyl-phenethyl+thiophen-2-yl-ethyl)
Technique GC/MS
Wiley ID DD2024_026431