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1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(3-PHENYL)-PROPANIMIDE
SpectraBase Compound ID EbJrNXnlGct
InChI InChI=1S/C27H28ClN5O/c1-33(31-26(34)14-11-20-7-3-2-4-8-20)17-15-32(16-18-33)27-22-9-5-6-10-23(22)29-24-13-12-21(28)19-25(24)30-27/h2-10,12-13,19,29H,11,14-18H2,1H3
InChIKey QDMLFUXVZQIYOT-UHFFFAOYSA-N
Mol Weight 474.01 g/mol
Molecular Formula C27H28ClN5O
Exact Mass 473.198238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mkYgfF1RS5
Name 1-[4-(8-CHLORO-5H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-11-YL)-1-METHYLHEXAHYDROPYRAZIN-1-IUM]-1-(3-PHENYL)-PROPANIMIDE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28ClN5O
InChI InChI=1S/C27H28ClN5O/c1-33(31-26(34)14-11-20-7-3-2-4-8-20)17-15-32(16-18-33)27-22-9-5-6-10-23(22)29-24-13-12-21(28)19-25(24)30-27/h2-10,12-13,19,29H,11,14-18H2,1H3
InChIKey QDMLFUXVZQIYOT-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 474.005 g/mol
Sample ID 40463
Solvent CDCl3