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

*Links on SpectraBase are not permalinks.
Allobarbital
SpectraBase Compound ID AiaXrPIcHyU
InChI InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey FDQGNLOWMMVRQL-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C10H12N2O3
Exact Mass 208.084792 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 5W1NKKaw8tU
Name Allobarbitone
CAS Registry Number 52-43-7
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 208.084792251 u
Formula C10H12N2O3
InChI InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey FDQGNLOWMMVRQL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.217 g/mol
Nominal Mass 208 u
Quality 967
Retention Index 1582
SMILES C1(C(NC(NC1=O)=O)=O)(CC=C)CC=C
SPLASH splash10-0frf-9300000000-a2861941a76165163b46
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Allobarbital Diallylbarbital 5,5-Diallylbarbituric acid 5,5-Diprop-2-enyl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_000064