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Butallylonal
SpectraBase Compound ID 6TTip6i1AeE
InChI InChI=1S/C11H15BrN2O3/c1-4-6(2)11(5-7(3)12)8(15)13-10(17)14-9(11)16/h6H,3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKey FWZMBTIUIQUJFF-UHFFFAOYSA-N
Mol Weight 303.16 g/mol
Molecular Formula C11H15BrN2O3
Exact Mass 302.026605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIFZaoXaPE8
Name Butallylonal
CAS Registry Number 1142-70-7
Classification Pharmaceutical drug, hypnotic
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 302.026605348 u
Formula C11H15BrN2O3
InChI InChI=1S/C11H15BrN2O3/c1-4-6(2)11(5-7(3)12)8(15)13-10(17)14-9(11)16/h6H,3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKey FWZMBTIUIQUJFF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.156 g/mol
Nominal Mass 302 u
Quality 999
Retention Index 1976
SMILES C1(C(NC(NC1=O)=O)=O)(C(CC)C)CC(Br)=C
SPLASH splash10-01b9-5920000000-6684849283bfa9ad7416
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(2-Bromoprop-2-enyl)-5-butan-2-yl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_011673