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Propallylonal ET
SpectraBase Compound ID LNZ1urY3wCQ
InChI InChI=1S/C12H17BrN2O3/c1-5-8(13)12(7(3)4)9(16)14-11(18)15(6-2)10(12)17/h5,7-8H,1,6H2,2-4H3,(H,14,16,18)
InChIKey DSPQHHMXYDVQCX-UHFFFAOYSA-N
Mol Weight 317.18 g/mol
Molecular Formula C12H17BrN2O3
Exact Mass 316.042255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bSTYAfdkM3
Name Propallylonal ET
Classification Pharmaceutical drug derivative
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 316.042255412 u
Formula C12H17BrN2O3
InChI InChI=1S/C12H17BrN2O3/c1-5-8(13)12(7(3)4)9(16)14-11(18)15(6-2)10(12)17/h5,7-8H,1,6H2,2-4H3,(H,14,16,18)
InChIKey DSPQHHMXYDVQCX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.183 g/mol
Nominal Mass 316 u
Quality 997
Retention Index 1975
SMILES C1(C(N(C(NC1=O)=O)CC)=O)(C(C=C)Br)C(C)C
SPLASH splash10-000g-9620000000-b21c4d287911a0e30ab1
Sample Comments Ethyl position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(1-bromoprop-2-en-1-yl)-1-ethyl-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_010036