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4'-Fluoro-4-fluoro-trans-3-methylfentanyl
SpectraBase Compound ID 8KywEfasr0n
InChI InChI=1S/C23H28F2N2O/c1-3-23(28)27(21-10-8-20(25)9-11-21)22-13-15-26(16-17(22)2)14-12-18-4-6-19(24)7-5-18/h4-11,17,22H,3,12-16H2,1-2H3/t17-,22-/m1/s1
InChIKey YFIQNDQPFUSEGY-VGOFRKELSA-N
Mol Weight 386.49 g/mol
Molecular Formula C23H28F2N2O
Exact Mass 386.21697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXD0rUTG88W
Name 4'-Fluoro-4-fluoro-trans-3-methylfentanyl
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 386.216969855 u
Formula C23H28F2N2O
InChI InChI=1S/C23H28F2N2O/c1-3-23(28)27(21-10-8-20(25)9-11-21)22-13-15-26(16-17(22)2)14-12-18-4-6-19(24)7-5-18/h4-11,17,22H,3,12-16H2,1-2H3/t17-,22-/m1/s1
InChIKey YFIQNDQPFUSEGY-VGOFRKELSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 386.487 g/mol
Nominal Mass 386 u
Quality 998
Retention Index 2694
SMILES [C@@]1(N(C=2C=CC(=CC2)F)C(CC)=O)([C@@](CN(CC1)CCC=1C=CC(=CC1)F)(C)[H])[H]
SPLASH splash10-004i-6970000000-9985fd3441583c2d887a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-((3R,4R)-1-(4-fluorophenethyl)-3-methylpiperidin-4-yl)-N-(4-fluorophenyl)propionamide
Technique GC/MS
Wiley ID DD2024_034346