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1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(4-PHENYL)-BUTANIMIDE
SpectraBase Compound ID IfMpMQKoAa1
InChI InChI=1S/C28H30ClN5O/c1-34(32-27(35)13-7-10-21-8-3-2-4-9-21)18-16-33(17-19-34)28-23-11-5-6-12-24(23)30-25-15-14-22(29)20-26(25)31-28/h2-6,8-9,11-12,14-15,20,30H,7,10,13,16-19H2,1H3
InChIKey ZEXANTJVOZDOIB-UHFFFAOYSA-N
Mol Weight 488.04 g/mol
Molecular Formula C28H30ClN5O
Exact Mass 487.213888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46dndXk2i4d
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(4-PHENYL)-BUTANIMIDE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30ClN5O
InChI InChI=1S/C28H30ClN5O/c1-34(32-27(35)13-7-10-21-8-3-2-4-9-21)18-16-33(17-19-34)28-23-11-5-6-12-24(23)30-25-15-14-22(29)20-26(25)31-28/h2-6,8-9,11-12,14-15,20,30H,7,10,13,16-19H2,1H3
InChIKey ZEXANTJVOZDOIB-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 488.032 g/mol
Sample ID 40464
Solvent CDCl3