For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Hexobarbital
SpectraBase Compound ID 5WOB9FvQCRu
InChI InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChIKey UYXAWHWODHRRMR-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DlYWaFZh1nc
Name Hexobarbitone
CAS Registry Number 56-29-1
Classification Pharmaceutical drug, narcotic
Comments 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 236.116092380 u
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChIKey UYXAWHWODHRRMR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.271 g/mol
Nominal Mass 236 u
Quality 995
Retention Index 1903
SMILES C1(C(NC(N(C1=O)C)=O)=O)(C1=CCCCC1)C
SPLASH splash10-00e9-9550000000-6502975a20e429a87811
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(Cyclohex-1-enyl)-1,5-dimethylbarbituric acid Enhexymal Hexobarbital 5-(1-Cyclohexenyl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_032817