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1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-2-(PHENYL)-ACETIMIDE
SpectraBase Compound ID LrKB98Nf8XN
InChI InChI=1S/C26H26ClN5O/c1-32(30-25(33)17-19-7-3-2-4-8-19)15-13-31(14-16-32)26-21-9-5-6-10-22(21)28-23-12-11-20(27)18-24(23)29-26/h2-12,18,28H,13-17H2,1H3
InChIKey JWVHNKHAIWTBFF-UHFFFAOYSA-N
Mol Weight 459.98 g/mol
Molecular Formula C26H26ClN5O
Exact Mass 459.182588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3rjqBOblPZB
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-2-(PHENYL)-ACETIMIDE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26ClN5O
InChI InChI=1S/C26H26ClN5O/c1-32(30-25(33)17-19-7-3-2-4-8-19)15-13-31(14-16-32)26-21-9-5-6-10-22(21)28-23-12-11-20(27)18-24(23)29-26/h2-12,18,28H,13-17H2,1H3
InChIKey JWVHNKHAIWTBFF-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 459.978 g/mol
Sample ID 40462
Solvent CDCl3