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2-METHYL-2,4-DIPHENYL-2,3-DIHYDRO-1-H-1,5-BENZODIAZEPIN-6-YL-(4-TOLYL)-CARBAMATE
SpectraBase Compound ID 24E6NwBA3xf
InChI InChI=1S/C30H27N3O2/c1-21-16-18-24(19-17-21)31-29(34)35-27-15-9-14-25-28(27)32-26(22-10-5-3-6-11-22)20-30(2,33-25)23-12-7-4-8-13-23/h3-19,33H,20H2,1-2H3,(H,31,34)
InChIKey LEPHXCWQUYUDCO-UHFFFAOYSA-N
Mol Weight 461.57 g/mol
Molecular Formula C30H27N3O2
Exact Mass 461.210327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNtXCpPPPwf
Name 2-METHYL-2,4-DIPHENYL-2,3-DIHYDRO-1-H-1,5-BENZODIAZEPIN-6-YL-(4-TOLYL)-CARBAMATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H27N3O2
InChI InChI=1S/C30H27N3O2/c1-21-16-18-24(19-17-21)31-29(34)35-27-15-9-14-25-28(27)32-26(22-10-5-3-6-11-22)20-30(2,33-25)23-12-7-4-8-13-23/h3-19,33H,20H2,1-2H3,(H,31,34)
InChIKey LEPHXCWQUYUDCO-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 461.563 g/mol
Solvent CDCl3
Source File Reference UWMZ47652