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4'-Chlorodiazepam
SpectraBase Compound ID HZAkWsXZNkH
InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
InChIKey PUMYFTJOWAJIKF-UHFFFAOYSA-N
Mol Weight 319.19 g/mol
Molecular Formula C16H12Cl2N2O
Exact Mass 318.032668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn4buNQwuye
Name 4-Chlordiazepam
Classification Designer benzodiazepine
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 318.032668413 u
Formula C16H12Cl2N2O
InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
InChIKey PUMYFTJOWAJIKF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 319.191 g/mol
Nominal Mass 318 u
Quality 879
Retention Index 2658
SMILES C1=2C(C3=CC=C(C=C3)Cl)=NCC(N(C1=CC=C(C2)Cl)C)=O
SPLASH splash10-00kf-2694000000-19b30b5a282c8ab0125d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms RO5-4864 7-Chloro-5-(4-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Technique GC/MS
Wiley ID DD2024_028574