For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-(3-Iodophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SpectraBase Compound ID HEVvin8wmdi
InChI InChI=1S/C22H27IN2O/c1-2-22(26)25(21-10-6-9-19(23)17-21)20-12-15-24(16-13-20)14-11-18-7-4-3-5-8-18/h3-10,17,20H,2,11-16H2,1H3
InChIKey SCCBBVSBWMTXQZ-UHFFFAOYSA-N
Mol Weight 462.38 g/mol
Molecular Formula C22H27IN2O
Exact Mass 462.116808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LuazlsmNgnI
Name N-(3-Iodophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
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 462.116808496 u
Formula C22H27IN2O
InChI InChI=1S/C22H27IN2O/c1-2-22(26)25(21-10-6-9-19(23)17-21)20-12-15-24(16-13-20)14-11-18-7-4-3-5-8-18/h3-10,17,20H,2,11-16H2,1H3
InChIKey SCCBBVSBWMTXQZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 462.375 g/mol
Nominal Mass 462 u
Quality 998
Retention Index 3035
SMILES C1(N(C=2C=C(C=CC2)I)C(CC)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-00di-3389000000-86a143f8c7b1b7d5e2c7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(l-phenyl+(3-iodophenyl))
Technique GC/MS
Wiley ID DD2024_033930