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1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(5-METHOXY-1H-INDOL-3-YL)-ACETIMIDE

View entire compound with spectra: 1 NMR

1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(5-METHOXY-1H-INDOL-3-YL)-ACETIMIDE
SpectraBase Compound ID 5KPgzsIlVBi
InChI InChI=1S/C29H29ClN6O2/c1-36(34-28(37)15-19-18-31-24-10-8-21(38-2)17-23(19)24)13-11-35(12-14-36)29-22-5-3-4-6-25(22)32-26-9-7-20(30)16-27(26)33-29/h3-10,16-18,31-32H,11-15H2,1-2H3
InChIKey TYXSXTHVGKRKPE-UHFFFAOYSA-N
Mol Weight 529.04 g/mol
Molecular Formula C29H29ClN6O2
Exact Mass 528.204052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8VNnGYXUpz
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(5-METHOXY-1H-INDOL-3-YL)-ACETIMIDE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H29ClN6O2
InChI InChI=1S/C29H29ClN6O2/c1-36(34-28(37)15-19-18-31-24-10-8-21(38-2)17-23(19)24)13-11-35(12-14-36)29-22-5-3-4-6-25(22)32-26-9-7-20(30)16-27(26)33-29/h3-10,16-18,31-32H,11-15H2,1-2H3
InChIKey TYXSXTHVGKRKPE-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 529.041 g/mol
Sample ID 40469
Solvent CDCl3