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8-chloro-6-(2-chlorophenyl)-1-(1-methylpiperidin-4-yl)-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepine
SpectraBase Compound ID JPQHGXhcoXw
InChI InChI=1S/C22H21Cl2N5/c1-28-10-8-14(9-11-28)22-27-26-20-13-25-21(16-4-2-3-5-18(16)24)17-12-15(23)6-7-19(17)29(20)22/h2-7,12,14H,8-11,13H2,1H3
InChIKey CHZHZRWLKQFTQA-UHFFFAOYSA-N
Mol Weight 426.35 g/mol
Molecular Formula C22H21Cl2N5
Exact Mass 425.117401 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80wCwcZi0xD
Name 8-chloro-6-(2-chlorophenyl)-1-(1-methylpiperidin-4-yl)-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepine
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21Cl2N5
InChI InChI=1S/C22H21Cl2N5/c1-28-10-8-14(9-11-28)22-27-26-20-13-25-21(16-4-2-3-5-18(16)24)17-12-15(23)6-7-19(17)29(20)22/h2-7,12,14H,8-11,13H2,1H3
InChIKey CHZHZRWLKQFTQA-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 UWED16525