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Buthalital
SpectraBase Compound ID 4LYwvSxZ7dG
InChI InChI=1S/C11H16N2O2S/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey QHJOIAXHOQIPJT-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C11H16N2O2S
Exact Mass 240.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Djj4JLsCWtE
Name Buthalital
CAS Registry Number 468-65-5
Classification Pharmaceutical drug, narcotic
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 240.093248935 u
Formula C11H16N2O2S
InChI InChI=1S/C11H16N2O2S/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey QHJOIAXHOQIPJT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 240.321 g/mol
Nominal Mass 240 u
Quality 937
Retention Index 1804
SMILES C1(C(NC(NC1=O)=S)=O)(CC(C)C)CC=C
SPLASH splash10-001l-8900000000-dd4edd258aa563225d8d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-Allyl-5-iso-butyl-2-thiobarbituric acid
Technique GC/MS
Wiley ID DD2024_011924