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1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(8-PHENYL)-OCTANIMIDE
SpectraBase Compound ID 9mG589yC0ex
InChI InChI=1S/C32H38ClN5O/c1-38(36-31(39)17-9-4-2-3-6-12-25-13-7-5-8-14-25)22-20-37(21-23-38)32-27-15-10-11-16-28(27)34-29-19-18-26(33)24-30(29)35-32/h5,7-8,10-11,13-16,18-19,24,34H,2-4,6,9,12,17,20-23H2,1H3
InChIKey MMNIMSKOXJVKDH-UHFFFAOYSA-N
Mol Weight 544.1 g/mol
Molecular Formula C32H38ClN5O
Exact Mass 543.276489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWtPP3UYu5u
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(8-PHENYL)-OCTANIMIDE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H38ClN5O
InChI InChI=1S/C32H38ClN5O/c1-38(36-31(39)17-9-4-2-3-6-12-25-13-7-5-8-14-25)22-20-37(21-23-38)32-27-15-10-11-16-28(27)34-29-19-18-26(33)24-30(29)35-32/h5,7-8,10-11,13-16,18-19,24,34H,2-4,6,9,12,17,20-23H2,1H3
InChIKey MMNIMSKOXJVKDH-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 544.140 g/mol
Sample ID 40467
Solvent CDCl3