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6-HYDROXY-2-METHYL-2,4-BIS-(3-NITROPHENYL)-2,3-DIHYDRO-1-H-1,5-BENZODIAZEPINE
SpectraBase Compound ID IGNZWl0pLbh
InChI InChI=1S/C22H18N4O5/c1-22(15-6-3-8-17(12-15)26(30)31)13-19(14-5-2-7-16(11-14)25(28)29)23-21-18(24-22)9-4-10-20(21)27/h2-12,24,27H,13H2,1H3
InChIKey MRCZURZANHMQGF-UHFFFAOYSA-N
Mol Weight 418.41 g/mol
Molecular Formula C22H18N4O5
Exact Mass 418.12772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdE4YOFqnsi
Name 6-HYDROXY-2-METHYL-2,4-BIS-(3-NITROPHENYL)-2,3-DIHYDRO-1-H-1,5-BENZODIAZEPINE
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18N4O5
InChI InChI=1S/C22H18N4O5/c1-22(15-6-3-8-17(12-15)26(30)31)13-19(14-5-2-7-16(11-14)25(28)29)23-21-18(24-22)9-4-10-20(21)27/h2-12,24,27H,13H2,1H3
InChIKey MRCZURZANHMQGF-UHFFFAOYSA-N
Literature Reference Author C.G.NEOCHORITIS,C.A.TSOLERIDIS,J.STEPHANIDOU-STEPHANATOU,C.A .KONTOGIORGIS,D.J.HA
Literature Reference Citation J.MED.CHEM.,53,8409(2010)
Literature Reference DOI 10.1021/jm100739n
Molecular Weight 418.409 g/mol
Solvent CDCl3
Source File Reference UWMZ47646