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1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(10-PHENYL)-DECANIMIDE
SpectraBase Compound ID IB3RYJQxKWU
InChI InChI=1S/C34H42ClN5O/c1-40(38-33(41)19-11-6-4-2-3-5-8-14-27-15-9-7-10-16-27)24-22-39(23-25-40)34-29-17-12-13-18-30(29)36-31-21-20-28(35)26-32(31)37-34/h7,9-10,12-13,15-18,20-21,26,36H,2-6,8,11,14,19,22-25H2,1H3
InChIKey IDDUJTCUODEMSP-UHFFFAOYSA-N
Mol Weight 572.2 g/mol
Molecular Formula C34H42ClN5O
Exact Mass 571.307789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Kpm4R8qMpR
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(10-PHENYL)-DECANIMIDE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H42ClN5O
InChI InChI=1S/C34H42ClN5O/c1-40(38-33(41)19-11-6-4-2-3-5-8-14-27-15-9-7-10-16-27)24-22-39(23-25-40)34-29-17-12-13-18-30(29)36-31-21-20-28(35)26-32(31)37-34/h7,9-10,12-13,15-18,20-21,26,36H,2-6,8,11,14,19,22-25H2,1H3
InChIKey IDDUJTCUODEMSP-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 572.193 g/mol
Sample ID 40468
Solvent CDCl3