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Barbital
SpectraBase Compound ID LxOt8DtlWdP
InChI InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey FTOAOBMCPZCFFF-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C8H12N2O3
Exact Mass 184.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgN8Wttl0xt
Name Barbitone
CAS Registry Number 57-44-3
Classification Pharmaceutical drug, hypnotic
Comments Spectrum verified by crosschecking against external libraries (one 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) (3)
DEA Controlled Substance Name Barbital
DEA Controlled Substance Type Salts, isomers, and salts of isomers
DEA Controlled Substances Code Number 2145
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 184.084792251 u
Formula C8H12N2O3
InChI InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey FTOAOBMCPZCFFF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 184.195 g/mol
Nominal Mass 184 u
Quality 914
Retention Index 1523
SMILES C1(C(NC(NC1=O)=O)=O)(CC)CC
SPLASH splash10-0a4l-3900000000-6c677aad0f2588949929
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Barbital 5,5-Diethylbarbituric acid 5,5-Diethyl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_014146