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1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(5-PHENYL)-PENTANIMIDE
SpectraBase Compound ID IZwLVhUkscF
InChI InChI=1S/C29H32ClN5O/c1-35(33-28(36)14-8-5-11-22-9-3-2-4-10-22)19-17-34(18-20-35)29-24-12-6-7-13-25(24)31-26-16-15-23(30)21-27(26)32-29/h2-4,6-7,9-10,12-13,15-16,21,31H,5,8,11,14,17-20H2,1H3
InChIKey UJXKEJGMGODALM-UHFFFAOYSA-N
Mol Weight 502.1 g/mol
Molecular Formula C29H32ClN5O
Exact Mass 501.229538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jmisb8O2SLN
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(5-PHENYL)-PENTANIMIDE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32ClN5O
InChI InChI=1S/C29H32ClN5O/c1-35(33-28(36)14-8-5-11-22-9-3-2-4-10-22)19-17-34(18-20-35)29-24-12-6-7-13-25(24)31-26-16-15-23(30)21-27(26)32-29/h2-4,6-7,9-10,12-13,15-16,21,31H,5,8,11,14,17-20H2,1H3
InChIKey UJXKEJGMGODALM-UHFFFAOYSA-N
Literature Reference Author B.CAPUANO,I.T.CROSBY,E.J.LLOYD,J.E.NEVE,D.A.TAYLOR
Literature Reference Citation AUSTR.J.CHEM.,61,5(2008)
Literature Reference DOI 10.1071/ch07275
Molecular Weight 502.059 g/mol
Sample ID 40465
Solvent CDCl3