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Alprazolam
SpectraBase Compound ID JBg8WpVFonb
InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
InChIKey VREFGVBLTWBCJP-UHFFFAOYSA-N
Mol Weight 308.77 g/mol
Molecular Formula C17H13ClN4
Exact Mass 308.082874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GdO7egQMwC
Name Alprazolam
CAS Registry Number 28981-97-7
Classification Pharmaceutical drug, tranquiliser
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 §1308.14 (c) (2)
DEA Controlled Substance Name Alprazolam
DEA Controlled Substance Type Salts, isomers, and salts of isomers
DEA Controlled Substances Code Number 2882
DEA Schedule Schedule IV
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, including its salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers is possible within the specific chemical designation
Exact Mass 308.082874135 u
Formula C17H13ClN4
InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
InChIKey VREFGVBLTWBCJP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 308.772 g/mol
Nominal Mass 308 u
Quality 949
Retention Index 2936
SMILES C=12N3C(CN=C(C2=CC(=CC1)Cl)C1=CC=CC=C1)=NN=C3C
SPLASH splash10-0ufr-3492000000-a78e3eedf494381e3ec8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Technique GC/MS
Wiley ID DD2024_000069