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para-Bromofentanyl
SpectraBase Compound ID 5NbOcCJs2q5
InChI InChI=1S/C22H27BrN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3
InChIKey UTXQWNZEVFXSIA-UHFFFAOYSA-N
Mol Weight 415.38 g/mol
Molecular Formula C22H27BrN2O
Exact Mass 414.130676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG3FvcUUlge
Name para-Bromofentanyl
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 414.130676496 u
Formula C22H27BrN2O
InChI InChI=1S/C22H27BrN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3
InChIKey UTXQWNZEVFXSIA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 415.375 g/mol
Nominal Mass 414 u
Quality 982
Retention Index 3007
SMILES C1(N(C2=CC=C(C=C2)Br)C(CC)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-00vi-7397000000-4743ff26aeaf264ab172
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-phenyl+(4-bromophenyl)) N-4-bromophenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Technique GC/MS
Wiley ID DD2024_033329