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Midazolam-A
SpectraBase Compound ID 8TkZ3GXhI6S
InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-8,10H,9H2,1H3
InChIKey IWKHVYWANKXFOX-UHFFFAOYSA-N
Mol Weight 325.77 g/mol
Molecular Formula C18H13ClFN3
Exact Mass 325.078203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIirNNbVghs
Name Midazolam-A
Classification Pharmaceutical drug artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 325.078203294 u
Formula C18H13ClFN3
InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-8,10H,9H2,1H3
InChIKey IWKHVYWANKXFOX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 325.774 g/mol
Nominal Mass 325 u
Quality 832
Retention Index 2625
SMILES C1=2C(C(C3=C(C=CC=C3)F)=NC=C3N1C(=NC3)C)=CC(=CC2)Cl
SPLASH splash10-00b9-4796000000-6d7abd225ce8f441651f
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 8-chloro-6-(2-fluorophenyl)-1-methyl-3H-imidazo[1,5-a][1,4]benzodiazepine
Technique GC/MS
Wiley ID DD2024_010406