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Sigmodal
SpectraBase Compound ID 94HFsjUHG5d
InChI InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKey ZGVCLZRQOUEZHG-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 AT0peqtoGgB
Name Sigmodal
CAS Registry Number 1216-40-6
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 316.042255412 u
Formula C12H17BrN2O3
InChI InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKey ZGVCLZRQOUEZHG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.183 g/mol
Nominal Mass 316 u
Quality 997
Retention Index 2298
SMILES C1(C(NC(NC1=O)=O)=O)(C(CCC)C)CC(Br)=C
SPLASH splash10-014r-6940000000-12c53c705e4108e13ad1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(2-Bromoprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_003896