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Diazepam
SpectraBase Compound ID 4Fwr5rkipCB
InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey AAOVKJBEBIDNHE-UHFFFAOYSA-N
Mol Weight 284.75 g/mol
Molecular Formula C16H13ClN2O
Exact Mass 284.071641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPZLRjnvDwC
Name Diazepam
CAS Registry Number 439-14-5
Classification Pharmaceutical drug, tranquiliser
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 §1308.14 (c) (18)
DEA Controlled Substance Name Diazepam
DEA Controlled Substance Type Salts, isomers, and salts of isomers
DEA Controlled Substances Code Number 2765
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 284.071640746 u
Formula C16H13ClN2O
InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey AAOVKJBEBIDNHE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.746 g/mol
Nominal Mass 284 u
Quality 900
Retention Index 2425
SMILES C=12C(N(C(CN=C2C2=CC=CC=C2)=O)C)=CC=C(C1)Cl
SPLASH splash10-0a59-2490000000-e931f19dbf8616622830
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Valium 9-Chloro-2-methyl-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
Technique GC/MS
Wiley ID DD2024_019575