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Pentobarbital-d5
SpectraBase Compound ID IeIovG8XGAa
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/i2D3,5D2
InChIKey WEXRUCMBJFQVBZ-ZTIZGVCASA-N
Mol Weight 231.31 g/mol
Molecular Formula C11H13D5N2O3
Exact Mass 231.163126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JfPigxVD3Q
Name Pentobarbital-d5
CAS Registry Number 52944-66-8
Classification Analytical reference standard
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 §1308.13 (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 231.163126174 u
Formula C11H13D5N2O3
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/i2D3,5D2
InChIKey WEXRUCMBJFQVBZ-ZTIZGVCASA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 231.307 g/mol
Nominal Mass 231 u
Quality 945
Retention Index 1960
SMILES C1(C(C([D])([D])[D])([D])[D])(C(NC(NC1=O)=O)=O)C(CCC)C
SPLASH splash10-03dl-3900000000-f14794431b28f6b7c776
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(1,1,2,2,2-(2)H5)ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_032631