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1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(6-PHENYL)-HEXANIMIDE
SpectraBase Compound ID EsydPtiXuWC
InChI InChI=1S/C30H34ClN5O/c1-36(34-29(37)15-7-3-6-12-23-10-4-2-5-11-23)20-18-35(19-21-36)30-25-13-8-9-14-26(25)32-27-17-16-24(31)22-28(27)33-30/h2,4-5,8-11,13-14,16-17,22,32H,3,6-7,12,15,18-21H2,1H3
InChIKey BCCWRGQLPWGRCV-UHFFFAOYSA-N
Mol Weight 516.1 g/mol
Molecular Formula C30H34ClN5O
Exact Mass 515.245188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XluFGYRIkD
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(6-PHENYL)-HEXANIMIDE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34ClN5O
InChI InChI=1S/C30H34ClN5O/c1-36(34-29(37)15-7-3-6-12-23-10-4-2-5-11-23)20-18-35(19-21-36)30-25-13-8-9-14-26(25)32-27-17-16-24(31)22-28(27)33-30/h2,4-5,8-11,13-14,16-17,22,32H,3,6-7,12,15,18-21H2,1H3
InChIKey BCCWRGQLPWGRCV-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 516.086 g/mol
Sample ID 40466
Solvent CDCl3