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Phenobarbital
SpectraBase Compound ID HVcyVYA6fpE
InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey DDBREPKUVSBGFI-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KX40nxrzzZ
Name Phenobarbitone
CAS Registry Number 50-06-6
Classification Pharmaceutical drug, anticonvulsant
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); 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 232.084792251 u
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey DDBREPKUVSBGFI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 232.239 g/mol
Nominal Mass 232 u
Quality 999
Retention Index 2035
SMILES C1(C(NC(NC1=O)=O)=O)(C1=CC=CC=C1)CC
SPLASH splash10-0uxr-5950000000-c01da6c682bc0f30ed97
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Phenobarbital 5-Ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_019601