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Isobutyryl fentanyl
SpectraBase Compound ID B4CEJcerCHm
InChI InChI=1S/C23H30N2O/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3
InChIKey WRPFPNIHTOSMKU-UHFFFAOYSA-N
Mol Weight 350.51 g/mol
Molecular Formula C23H30N2O
Exact Mass 350.235814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mhKF32jfgO
Name iso-Butanoylfentanyl
CAS Registry Number 117332-90-8
Classification Fentanyl opioid
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 350.235813593 u
Formula C23H30N2O
InChI InChI=1S/C23H30N2O/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3
InChIKey WRPFPNIHTOSMKU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 350.506 g/mol
Nominal Mass 350 u
Quality 891
Retention Index 2766
SMILES C1(N(C2=CC=CC=C2)C(C(C)C)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-0a4i-5980000000-9eb01b6c004701a4d91c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Isobutyrylfentanyl,Fentanyl(-propionyl+isobutyryl) N-Phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]-2-methylpropanamide
Technique GC/MS
Wiley ID DD2024_024490