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Thiobarbital
SpectraBase Compound ID H3PO33WEQNe
InChI InChI=1S/C8H12N2O2S/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 QGVNJRROSLYGKF-UHFFFAOYSA-N
Mol Weight 200.26 g/mol
Molecular Formula C8H12N2O2S
Exact Mass 200.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpT7eN3qUuq
Name Thiobarbitone
CAS Registry Number 77-32-7
Classification Pharmaceutical drug, hypnotic
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 200.061948806 u
Formula C8H12N2O2S
InChI InChI=1S/C8H12N2O2S/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 QGVNJRROSLYGKF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 200.256 g/mol
Nominal Mass 200 u
Quality 993
Retention Index 1594
SMILES C1(C(NC(NC1=O)=S)=O)(CC)CC
SPLASH splash10-0ab9-6920000000-6b5dbeab7441519899e2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Thiobarbital 5,5-Diethyl-2-thiobarbituric acid
Technique GC/MS
Wiley ID DD2024_004019