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1-(2-Amino-ethyl)-8-bromo-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID 4jQTHs407oM
InChI InChI=1S/C18H16BrN5/c19-13-6-7-15-14(10-13)18(12-4-2-1-3-5-12)21-11-17-23-22-16(8-9-20)24(15)17/h1-7,10H,8-9,11,20H2
InChIKey ARAYVTCXPOFLEW-UHFFFAOYSA-N
Mol Weight 382.27 g/mol
Molecular Formula C18H16BrN5
Exact Mass 381.058909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xvKQa0vjUW
Name 1-(2-Amino-ethyl)-8-bromo-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 72874-59-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H16BrN5
InChI InChI=1S/C18H16BrN5/c19-13-6-7-15-14(10-13)18(12-4-2-1-3-5-12)21-11-17-23-22-16(8-9-20)24(15)17/h1-7,10H,8-9,11,20H2
InChIKey ARAYVTCXPOFLEW-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