John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Edc372GD0kv SpectraBase Spectrum ID=29qua0bKe45

(accessed ).
1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(5-HYDROXY-1H-INDOL-3-YL)-ACETIMIDE
SpectraBase Compound ID Edc372GD0kv
InChI InChI=1S/C28H27ClN6O2/c1-35(33-27(37)14-18-17-30-23-9-7-20(36)16-22(18)23)12-10-34(11-13-35)28-21-4-2-3-5-24(21)31-25-8-6-19(29)15-26(25)32-28/h2-9,15-17,30-31,36H,10-14H2,1H3
InChIKey YHKMUMVAJYIKCB-UHFFFAOYSA-N
Mol Weight 515.02 g/mol
Molecular Formula C28H27ClN6O2
Exact Mass 514.188402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29qua0bKe45
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(5-HYDROXY-1H-INDOL-3-YL)-ACETIMIDE
Compound Number 4I
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27ClN6O2
InChI InChI=1S/C28H27ClN6O2/c1-35(33-27(37)14-18-17-30-23-9-7-20(36)16-22(18)23)12-10-34(11-13-35)28-21-4-2-3-5-24(21)31-25-8-6-19(29)15-26(25)32-28/h2-9,15-17,30-31,36H,10-14H2,1H3
InChIKey YHKMUMVAJYIKCB-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 515.014 g/mol
Sample ID 40470
Solvent CD3OD
SpectraBase Batch ID AecEWX4zjq6