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8-chloro-1-(1-methylpiperidin-4-yl)-6-phenyl-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepine
SpectraBase Compound ID I4YeLaCJTZs
InChI InChI=1S/C22H22ClN5/c1-27-11-9-16(10-12-27)22-26-25-20-14-24-21(15-5-3-2-4-6-15)18-13-17(23)7-8-19(18)28(20)22/h2-8,13,16H,9-12,14H2,1H3
InChIKey WMKYVCADXYCXQD-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 9JibSZy0N2S
Name 8-chloro-1-(1-methylpiperidin-4-yl)-6-phenyl-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepine
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22ClN5
InChI InChI=1S/C22H22ClN5/c1-27-11-9-16(10-12-27)22-26-25-20-14-24-21(15-5-3-2-4-6-15)18-13-17(23)7-8-19(18)28(20)22/h2-8,13,16H,9-12,14H2,1H3
InChIKey WMKYVCADXYCXQD-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 UWED16523