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Pentobarbitone ME
SpectraBase Compound ID ApxzMrURQdP
InChI InChI=1S/C12H20N2O3/c1-5-7-8(3)12(6-2)9(15)13-11(17)14(4)10(12)16/h8H,5-7H2,1-4H3,(H,13,15,17)
InChIKey OIIGBIYLGSWNKY-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C12H20N2O3
Exact Mass 240.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VuiZgvNFlA
Name Pentobarbitone ME
Classification Pharmaceutical drug derivative
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 §1308.13 (c) (3)
DEA Controlled Substance Form Any compound, mixture or preparation
DEA Controlled Substance Name Barbituric acid derivatives
DEA Controlled Substance Type Salts, isomers, derivatives and salts of isomers and derivatives
DEA Controlled Substances Code Number 2100
DEA Schedule Schedule III
DEA Section Depressants. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances having a depressant effect on the central nervous system
Exact Mass 240.147392509 u
Formula C12H20N2O3
InChI InChI=1S/C12H20N2O3/c1-5-7-8(3)12(6-2)9(15)13-11(17)14(4)10(12)16/h8H,5-7H2,1-4H3,(H,13,15,17)
InChIKey OIIGBIYLGSWNKY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 240.303 g/mol
Nominal Mass 240 u
Quality 947
Retention Index 1885
SMILES C1(C(NC(N(C1=O)C)=O)=O)(C(CCC)C)CC
SPLASH splash10-0ab9-4900000000-9741f8b6b377628c9ae6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-ethyl-1-methyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_025669