For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Brotizolam
SpectraBase Compound ID IWGFNoBjPJD
InChI InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
InChIKey UMSGKTJDUHERQW-UHFFFAOYSA-N
Mol Weight 393.69 g/mol
Molecular Formula C15H10BrClN4S
Exact Mass 391.949808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GUBqBd34moq
Name Brotizolam
CAS Registry Number 57801-81-7
Classification Pharmaceutical drug, anxiolytic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 391.949808212 u
Formula C15H10BrClN4S
InChI InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
InChIKey UMSGKTJDUHERQW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 393.690 g/mol
Nominal Mass 392 u
Quality 721
Retention Index 2956
SMILES C1=2N3C(CN=C(C2C=C(S1)Br)C=1C(=CC=CC1)Cl)=NN=C3C
SPLASH splash10-0006-9452000000-d6b219f35ffa878d06f8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
Technique GC/MS
Wiley ID DD2024_000339