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Brotizolam

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 8 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PoLuOLuDkG
Name Brotizolam
CAS Registry Number 57801-81-7
Comments SOLVENT DMSO-D6/CDCL3 (30%:70%)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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
Instrument Name Bruker WP-80
Literature Reference K.A. Kovar, D. Linden, E. Breitmaier, Arch. Pharm. 316, 834 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6