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2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylbutyl)-5-(2-propenyl)-
SpectraBase Compound ID 9dnYb8aS3TG
InChI InChI=1S/C14H22N2O3/c1-6-8-10(3)14(9-7-2)11(17)15(4)13(19)16(5)12(14)18/h7,10H,2,6,8-9H2,1,3-5H3
InChIKey KKPCLTFASPTTIQ-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C14H22N2O3
Exact Mass 266.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pXzAAHehqi
Name Secobarbital 2ME
CAS Registry Number 28239-49-8
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 266.163042573 u
Formula C14H22N2O3
InChI InChI=1S/C14H22N2O3/c1-6-8-10(3)14(9-7-2)11(17)15(4)13(19)16(5)12(14)18/h7,10H,2,6,8-9H2,1,3-5H3
InChIKey KKPCLTFASPTTIQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 266.341 g/mol
Nominal Mass 266 u
Quality 883
Retention Index 2035
SMILES C1(C(N(C(N(C1=O)C)=O)C)=O)(C(CCC)C)CC=C
SPLASH splash10-0002-2900000000-615bc9b973cbfbd63be4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,3-dimethyl-5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_005297