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N-(4-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]heptafluorobutanamide
SpectraBase Compound ID DszAmD2qt4z
InChI InChI=1S/C24H25F7N2O/c1-17-7-9-19(10-8-17)33(21(34)22(25,26)23(27,28)24(29,30)31)20-12-15-32(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKey SJEAGPRUNBLQSV-UHFFFAOYSA-N
Mol Weight 490.47 g/mol
Molecular Formula C24H25F7N2O
Exact Mass 490.185511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVv3cYs5jDk
Name N-(4-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]heptafluorobutanamide
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 490.185510573 u
Formula C24H25F7N2O
InChI InChI=1S/C24H25F7N2O/c1-17-7-9-19(10-8-17)33(21(34)22(25,26)23(27,28)24(29,30)31)20-12-15-32(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKey SJEAGPRUNBLQSV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 490.466 g/mol
Nominal Mass 490 u
Quality 992
Retention Index 2597
SMILES C(C(C(F)(F)F)(F)F)(C(N(C1CCN(CC1)CCC1=CC=CC=C1)C1=CC=C(C=C1)C)=O)(F)F
SPLASH splash10-0007-9402000000-1b876bf30e9cfc4828c8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,2,3,3,4,4,4-Heptafluoro-N-(4-methylphenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)butanamide
Technique GC/MS
Wiley ID DD2024_029916