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5-Allyl-5-phenylbarbituric acid
SpectraBase Compound ID 7XCymj83shr
InChI InChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)
InChIKey WOIGZSBYKGQJGL-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8F7Gld3XQlk
Name Phenallymal
CAS Registry Number 115-43-5
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 244.084792251 u
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)
InChIKey WOIGZSBYKGQJGL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 244.250 g/mol
Nominal Mass 244 u
Quality 991
Retention Index 2062
SMILES C1(C(NC(NC1=O)=O)=O)(C1=CC=CC=C1)CC=C
SPLASH splash10-0gdi-5950000000-858c1432b84d51af0e5e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-Allyl-5-phenylbarbituric acid 5-Phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_003529