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8-Chloro-1-(4-methyl-piperazinyl)-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID Kwct3gW1VrQ
InChI InChI=1S/C21H21ClN6/c1-26-9-11-27(12-10-26)21-25-24-19-14-23-20(15-5-3-2-4-6-15)17-13-16(22)7-8-18(17)28(19)21/h2-8,13H,9-12,14H2,1H3
InChIKey CDXVRKYAZPDCRX-UHFFFAOYSA-N
Mol Weight 392.89 g/mol
Molecular Formula C21H21ClN6
Exact Mass 392.151622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18bKeQbUvR0
Name 8-Chloro-1-(4-methyl-piperazinyl)-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 56910-08-8
Comments REASSIGNED A.H., C2 VALUE IS IN QUESTION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H21ClN6
InChI InChI=1S/C21H21ClN6/c1-26-9-11-27(12-10-26)21-25-24-19-14-23-20(15-5-3-2-4-6-15)17-13-16(22)7-8-18(17)28(19)21/h2-8,13H,9-12,14H2,1H3
InChIKey CDXVRKYAZPDCRX-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