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6-(2-chlorophenyl)-1-(1-methylpiperidin-4-yl)-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepine
SpectraBase Compound ID 2ELEdnJUmAU
InChI InChI=1S/C22H22ClN5/c1-27-12-10-15(11-13-27)22-26-25-20-14-24-21(16-6-2-4-8-18(16)23)17-7-3-5-9-19(17)28(20)22/h2-9,15H,10-14H2,1H3
InChIKey PAJJAJJEDGZODV-UHFFFAOYSA-N
Mol Weight 391.91 g/mol
Molecular Formula C22H22ClN5
Exact Mass 391.156373 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zLPqQeP99t
Name 6-(2-chlorophenyl)-1-(1-methylpiperidin-4-yl)-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepine
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22ClN5
InChI InChI=1S/C22H22ClN5/c1-27-12-10-15(11-13-27)22-26-25-20-14-24-21(16-6-2-4-8-18(16)23)17-7-3-5-9-19(17)28(20)22/h2-9,15H,10-14H2,1H3
InChIKey PAJJAJJEDGZODV-UHFFFAOYSA-N
Literature Reference Author T.A.SCAHILL,S.L.SMITH
Literature Reference Citation ORG.MAGN.RES.,21,662(1983)
Literature Reference DOI 10.1002/omr.1270211104
Solvent CDCl3;CR(ACAC)3
Source File Reference UWED16524