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2,2,3,3,4,4,4-Heptafluoro-N-(3-fluorophenyl)-N-(1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl)butanamide
SpectraBase Compound ID BfCOsHPwMN7
InChI InChI=1S/C23H21F9N2O/c24-16-6-4-15(5-7-16)8-11-33-12-9-18(10-13-33)34(19-3-1-2-17(25)14-19)20(35)21(26,27)22(28,29)23(30,31)32/h1-7,14,18H,8-13H2
InChIKey AJSAFVRVPPOUQE-UHFFFAOYSA-N
Mol Weight 512.42 g/mol
Molecular Formula C23H21F9N2O
Exact Mass 512.151017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JF619WUkOlE
Name 2,2,3,3,4,4,4-Heptafluoro-N-(3-fluorophenyl)-N-(1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl)butanamide
Classification Fentalogue
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 512.151016770 u
Formula C23H21F9N2O
InChI InChI=1S/C23H21F9N2O/c24-16-6-4-15(5-7-16)8-11-33-12-9-18(10-13-33)34(19-3-1-2-17(25)14-19)20(35)21(26,27)22(28,29)23(30,31)32/h1-7,14,18H,8-13H2
InChIKey AJSAFVRVPPOUQE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 512.420 g/mol
Nominal Mass 512 u
Quality 1000
Retention Index 2395
SMILES C(C(C(N(C1CCN(CC1)CCC1=CC=C(C=C1)F)C=1C=C(C=CC1)F)=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-0udi-7923800000-15795fa01d3361b9fa96
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+heptafluorobutyryl-phenyl+(3-fluorophenyl)-phenethyl+[2-(4-fluorophenylethyl)])
Technique GC/MS
Wiley ID DD2024_029504