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Mephobarbital
SpectraBase Compound ID tfdB6YXaAA
InChI InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKey ALARQZQTBTVLJV-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFlbRugedBQ
Name Methylphenobarbitone
CAS Registry Number 115-38-8
Classification Pharmaceutical drug, anticonvulsant
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.14 (c) (39)
DEA Controlled Substance Name Methylphenobarbital
DEA Controlled Substance Type Salts, isomers, and salts of isomers
DEA Controlled Substances Code Number 2250
DEA Schedule Schedule IV
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, including 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
Exact Mass 246.100442316 u
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKey ALARQZQTBTVLJV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 246.266 g/mol
Nominal Mass 246 u
Quality 944
Retention Index 1994
SMILES C1(C(NC(N(C1=O)C)=O)=O)(C1=CC=CC=C1)CC
SPLASH splash10-014i-4960000000-0ba5d31e7136eca9e4a8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Mephobarbitone Methylphenobarbital 5-Ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_005546