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8-Chloro-1,4-bis(dimethylamino-methyl)-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID 3QtQ9UgRoNk
InChI InChI=1S/C22H25ClN6/c1-27(2)13-18-22-26-25-20(14-28(3)4)29(22)19-11-10-16(23)12-17(19)21(24-18)15-8-6-5-7-9-15/h5-12,18H,13-14H2,1-4H3
InChIKey QSGCTMHBAITLSX-UHFFFAOYSA-N
Mol Weight 408.94 g/mol
Molecular Formula C22H25ClN6
Exact Mass 408.182923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlY1TikrBCh
Name 8-Chloro-1,4-bis(dimethylamino-methyl)-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 71616-85-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H25ClN6
InChI InChI=1S/C22H25ClN6/c1-27(2)13-18-22-26-25-20(14-28(3)4)29(22)19-11-10-16(23)12-17(19)21(24-18)15-8-6-5-7-9-15/h5-12,18H,13-14H2,1-4H3
InChIKey QSGCTMHBAITLSX-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