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Hexanoyl-3-fluorofentanyl
SpectraBase Compound ID 1TtZgPt0bbq
InChI InChI=1S/C25H33FN2O/c1-2-3-5-13-25(29)28(24-12-8-11-22(26)20-24)23-15-18-27(19-16-23)17-14-21-9-6-4-7-10-21/h4,6-12,20,23H,2-3,5,13-19H2,1H3
InChIKey KQGPOZPDQXTHSG-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C25H33FN2O
Exact Mass 396.257692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmbNPDUWswS
Name Hexanoyl-3-fluorofentanyl
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 396.257691853 u
Formula C25H33FN2O
InChI InChI=1S/C25H33FN2O/c1-2-3-5-13-25(29)28(24-12-8-11-22(26)20-24)23-15-18-27(19-16-23)17-14-21-9-6-4-7-10-21/h4,6-12,20,23H,2-3,5,13-19H2,1H3
InChIKey KQGPOZPDQXTHSG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.550 g/mol
Nominal Mass 396 u
Quality 985
Retention Index 2971
SMILES C1(N(C2=CC(=CC=C2)F)C(CCCCC)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-0a4i-4964000000-f40aeedb978161dfe623
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+hexanoyl-phenyl+(3-fluorophenyl)) N-(3-Fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]hexanamide
Technique GC/MS
Wiley ID DD2024_024814