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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 433s8cnzi3L
Name 6-(ORTHO-CHLOROPHENYL)-1-(4-METHYLPIPERAZINYL)-6-PHENYL-4H-S-TRIAZOLO-[4,3-A]-[1,4]-BENZODIAZEPINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author T.A.SCAHILL,S.L.SMITH
Literature Reference Citation MAGN.RES.CHEM.,23,280(1985)
Literature Reference DOI 10.1002/mrc.1260230415
Molecular Weight 392.891 g/mol
Solvent CDCl3
Source File Reference UNIW15225