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Methylphenobarbitone TMS
SpectraBase Compound ID 4Tx3omZPVdE
InChI InChI=1S/C16H22N2O3Si/c1-6-16(12-10-8-7-9-11-12)13(19)17(2)15(21)18(14(16)20)22(3,4)5/h7-11H,6H2,1-5H3
InChIKey FOKMDYMTKYAOJN-UHFFFAOYSA-N
Mol Weight 318.45 g/mol
Molecular Formula C16H22N2O3Si
Exact Mass 318.139969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnjMqWynq40
Name Methylphenobarbitone TMS
CAS Registry Number 52937-72-1
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 318.139969108 u
Formula C16H22N2O3Si
InChI InChI=1S/C16H22N2O3Si/c1-6-16(12-10-8-7-9-11-12)13(19)17(2)15(21)18(14(16)20)22(3,4)5/h7-11H,6H2,1-5H3
InChIKey FOKMDYMTKYAOJN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 318.448 g/mol
Nominal Mass 318 u
Quality 991
Retention Index 2419
SMILES C1(C(N(C(N(C1=O)C)=O)[Si](C)(C)C)=O)(C1=CC=CC=C1)CC
SPLASH splash10-0fr2-4911000000-d7e78a178b736088c984
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-Ethyl-1-methyl-5-phenyl-3-(trimethylsilyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-Ethyl-1-methyl-5-phenyl-3-trimethylsilyl-hexahydropyrimidine-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_029943