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1-bromo-8-chloro-4-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

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1-bromo-8-chloro-4-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SpectraBase Compound ID AklK1krLdTt
InChI InChI=1S/C17H12BrClN4/c1-10-16-21-22-17(18)23(16)14-8-7-12(19)9-13(14)15(20-10)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey VUCWPORAJVYUHK-UHFFFAOYSA-N
Mol Weight 387.67 g/mol
Molecular Formula C17H12BrClN4
Exact Mass 385.993387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VPl7KLnCSq
Name 1-Bromo-8-chloro-4-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 71368-61-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H12BrClN4
InChI InChI=1S/C17H12BrClN4/c1-10-16-21-22-17(18)23(16)14-8-7-12(19)9-13(14)15(20-10)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey VUCWPORAJVYUHK-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference T.A. Scahill, S.L. Smith, Magn. Res. Chem. 23, 280 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3