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Pentylone
SpectraBase Compound ID JXeQpIo8RPJ
InChI InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3
InChIKey DFMLULIEUUXXSA-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFvhHz4pbhw
Name Pentylone
CAS Registry Number 698963-77-8
Classification Cathinone analog designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.11 (d) (64)
DEA Controlled Substance Name 1-(1,3-Benzodioxol-5-yl)-2-(methylamino)pentan-1- one
DEA Controlled Substance Type Salts, isomers (whether optical, position, or geometric), and salts of such isomers
DEA Controlled Substances Code Number 7542
DEA Schedule Schedule I
DEA Section Hallucinogenic substances. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation, which contains any quantity of the following hallucinogenic substances, or which contains any of its salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers is possible within the specific chemical designation (for purposes of this paragraph only, the term "isomer" includes the optical, position and geometric isomers)
Exact Mass 235.120843408 u
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3
InChIKey DFMLULIEUUXXSA-UHFFFAOYSA-N
Ionization Type Chemical Ionization (CI)
Molecular Weight 235.283 g/mol
Nominal Mass 235 u
Reagent Gas Methane
Retention Index 1839
SMILES C=1(C(C(NC)CCC)=O)C=C2C(=CC1)OCO2
SPLASH splash10-000i-0090000000-cef5d8a78ca454f1eda6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms b-Keto-Methylbenzodioxolylpentanamine bk-MBDP bk-Methyl-K 2-Methylamino-1-(3,4-methylenedioxyphenyl)pentan-1-one
Technique GC/MS
Wiley ID DD2024_029978