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8-Bromo-1-dimethylamino-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID 37pHwFTJKte
InChI InChI=1S/C19H18BrN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKey KZFYOVBBOIVHNC-UHFFFAOYSA-N
Mol Weight 396.29 g/mol
Molecular Formula C19H18BrN5
Exact Mass 395.074559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdBgD5GrGp
Name 8-Bromo-1-dimethylamino-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 72874-42-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H18BrN5
InChI InChI=1S/C19H18BrN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKey KZFYOVBBOIVHNC-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