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Metizolam
SpectraBase Compound ID 9d9ntIiFdqY
InChI InChI=1S/C16H13ClN4S/c1-2-10-7-12-15(11-5-3-4-6-13(11)17)18-8-14-20-19-9-21(14)16(12)22-10/h3-7,9H,2,8H2,1H3
InChIKey NQSSWDKQLVBUQN-UHFFFAOYSA-N
Mol Weight 328.82 g/mol
Molecular Formula C16H13ClN4S
Exact Mass 328.054945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WjWNwarsw4
Name Metizolam
CAS Registry Number 40054-68-0
Classification Pharmaceutical drug, sedative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 328.054945309 u
Formula C16H13ClN4S
InChI InChI=1S/C16H13ClN4S/c1-2-10-7-12-15(11-5-3-4-6-13(11)17)18-8-14-20-19-9-21(14)16(12)22-10/h3-7,9H,2,8H2,1H3
InChIKey NQSSWDKQLVBUQN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 328.821 g/mol
Nominal Mass 328 u
Quality 959
Retention Index 2948
SMILES C12=C(N3C(CN=C2C2=C(C=CC=C2)Cl)=NN=C3)SC(=C1)CC
SPLASH splash10-004j-1596000000-e170ef9d57cd53158b42
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Desmethyletizolam 4-(2-Chlorophenyl)-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
Technique GC/MS
Wiley ID DD2024_030144