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2,2,3,3,4,4,4-Heptafluoro-N-(4-methylphenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)butanamide
SpectraBase Compound ID 7eKfsbi53Bx
InChI InChI=1S/C22H23F7N2OS/c1-15-4-6-16(7-5-15)31(19(32)20(23,24)21(25,26)22(27,28)29)17-8-11-30(12-9-17)13-10-18-3-2-14-33-18/h2-7,14,17H,8-13H2,1H3
InChIKey KYSTTWLZNKYILQ-UHFFFAOYSA-N
Mol Weight 496.49 g/mol
Molecular Formula C22H23F7N2OS
Exact Mass 496.141932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmOgIuaZztI
Name 2,2,3,3,4,4,4-Heptafluoro-N-(4-methylphenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)butanamide
Classification Fentanyl opioid
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 496.141931683 u
Formula C22H23F7N2OS
InChI InChI=1S/C22H23F7N2OS/c1-15-4-6-16(7-5-15)31(19(32)20(23,24)21(25,26)22(27,28)29)17-8-11-30(12-9-17)13-10-18-3-2-14-33-18/h2-7,14,17H,8-13H2,1H3
InChIKey KYSTTWLZNKYILQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 496.488 g/mol
Nominal Mass 496 u
Quality 1000
Retention Index 2510
SMILES C(C(C(F)(F)F)(F)F)(C(N(C1CCN(CC1)CCC=1SC=CC1)C1=CC=C(C=C1)C)=O)(F)F
SPLASH splash10-0002-3209100000-7b2369165d4c9d53987f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+heptafluorobutanoyl-phenyl+(4-methylphenyl)-phenethyl+(thiophen-2-yl-ethyl))
Technique GC/MS
Wiley ID DD2024_026777