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

*Links on SpectraBase are not permalinks.
N-(4-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]pentafluoropropionamide
SpectraBase Compound ID 69XT7PLFBdy
InChI InChI=1S/C23H25F5N2O/c1-17-7-9-19(10-8-17)30(21(31)22(24,25)23(26,27)28)20-12-15-29(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKey VBTBWYMLPLVUIL-UHFFFAOYSA-N
Mol Weight 440.46 g/mol
Molecular Formula C23H25F5N2O
Exact Mass 440.188704 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 DlE36ZwmSv2
Name N-(4-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]pentafluoropropionamide
Classification Fentanyl analog precursor derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.11 (h) (30)
DEA Controlled Substance Name (i) Fentanyl-related substance means any substance not otherwise listed under another Administration Controlled Substance Code Number, and for which no exemption or approval is in effect under section 505 of the Federal Food, Drug, and Cosmetic Act [21 U.S.C. 355], that is structurally related to fentanyl by one or more of the following modifications:
DEA Controlled Substance Type Isomers, esters, ethers, salts and salts of isomers, esters and ethers
DEA Controlled Substances Code Number 9850
DEA Schedule Schedule I
DEA Section Temporary listing of substances subject to emergency scheduling. Any material, compound, mixture or preparation which contains any quantity of the following substances.
Exact Mass 440.188704247 u
Formula C23H25F5N2O
InChI InChI=1S/C23H25F5N2O/c1-17-7-9-19(10-8-17)30(21(31)22(24,25)23(26,27)28)20-12-15-29(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKey VBTBWYMLPLVUIL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 440.458 g/mol
Nominal Mass 440 u
Quality 996
Retention Index 2624
SMILES C(N(C1CCN(CC1)CCC=1C=CC=CC1)C=1C=CC(=CC1)C)(C(C(F)(F)F)(F)F)=O
SPLASH splash10-0007-9402000000-f4f139bb91f26c698ff7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+pentafluoropropionyl-phenyl+(4-methylphenyl)) 2,2,3,3,3-Pentafluoro-N-(4-methylphenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)propanamide
Technique GC/MS
Wiley ID DD2024_029915