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6-(ORTHO-CHLOROPHENYL)-1-(4-METHYLPIPERAZINYL)-6-PHENYL-4H-S-TRIAZOLO-[4,3-A]-[1,4]-BENZODIAZEPINE

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6-(ORTHO-CHLOROPHENYL)-1-(4-METHYLPIPERAZINYL)-6-PHENYL-4H-S-TRIAZOLO-[4,3-A]-[1,4]-BENZODIAZEPINE
SpectraBase Compound ID C7j28k8EdSX
InChI InChI=1S/C21H21ClN6/c1-26-10-12-27(13-11-26)21-25-24-19-14-23-20(15-6-2-4-8-17(15)22)16-7-3-5-9-18(16)28(19)21/h2-9H,10-14H2,1H3
InChIKey LRKLEUUDHIEIBS-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 4LEQ7kf9xAR
Name 6-(2-Chloro-phenyl)-1-(4-methyl-piperazinyl)-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 71368-74-6
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/c1-26-10-12-27(13-11-26)21-25-24-19-14-23-20(15-6-2-4-8-17(15)22)16-7-3-5-9-18(16)28(19)21/h2-9H,10-14H2,1H3
InChIKey LRKLEUUDHIEIBS-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