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N-(4-Chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]hexanamide
SpectraBase Compound ID IQiR7Hij1X6
InChI InChI=1S/C25H33ClN2O/c1-2-3-5-10-25(29)28(23-13-11-22(26)12-14-23)24-16-19-27(20-17-24)18-15-21-8-6-4-7-9-21/h4,6-9,11-14,24H,2-3,5,10,15-20H2,1H3
InChIKey QXIRLFJZYYXCPU-UHFFFAOYSA-N
Mol Weight 413.0 g/mol
Molecular Formula C25H33ClN2O
Exact Mass 412.228141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4InmIzWKNE
Name N-(4-Chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]hexanamide
Classification Fentanyl opioid
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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 412.228141390 u
Formula C25H33ClN2O
InChI InChI=1S/C25H33ClN2O/c1-2-3-5-10-25(29)28(23-13-11-22(26)12-14-23)24-16-19-27(20-17-24)18-15-21-8-6-4-7-9-21/h4,6-9,11-14,24H,2-3,5,10,15-20H2,1H3
InChIKey QXIRLFJZYYXCPU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 413.005 g/mol
Nominal Mass 412 u
Quality 967
Retention Index 3204
SMILES C1(N(C=2C=CC(=CC2)Cl)C(CCCCC)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-00e9-4964000000-c317b50a04d2d605bc0c
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_025965