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8-CHLORO-6-(ORTHO-CHLOROPHENYL)-1-(4-METHYLPIPERAZINYL)-4H-S-TRIAZOLO-[4,3-A]-[1,4]-BENZODIAZEPINE
SpectraBase Compound ID 5kjTZaEel7Y
InChI InChI=1S/C21H20Cl2N6/c1-27-8-10-28(11-9-27)21-26-25-19-13-24-20(15-4-2-3-5-17(15)23)16-12-14(22)6-7-18(16)29(19)21/h2-7,12H,8-11,13H2,1H3
InChIKey NBLHWCRFGHGCRJ-UHFFFAOYSA-N
Mol Weight 427.34 g/mol
Molecular Formula C21H20Cl2N6
Exact Mass 426.11265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BVcnS32JYP
Name 8-CHLORO-6-(ORTHO-CHLOROPHENYL)-1-(4-METHYLPIPERAZINYL)-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 C21H20Cl2N6
InChI InChI=1S/C21H20Cl2N6/c1-27-8-10-28(11-9-27)21-26-25-19-13-24-20(15-4-2-3-5-17(15)23)16-12-14(22)6-7-18(16)29(19)21/h2-7,12H,8-11,13H2,1H3
InChIKey NBLHWCRFGHGCRJ-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 427.336 g/mol
Solvent CDCl3
Source File Reference UNIW15226