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#6H;4,20-DI-(OXO-2-METHOXY-PHENYL-CARBOHYDRAZONYL-METHYL)-3,8,16,21,27,28-HEXAAZA-2,9,15,22-TETRA-OXO-TRICYCLO-[3,21,1,1(10,14)]-OCTACOSA-1(26),10,12,14,23,25-
SpectraBase Compound ID ITNB1UqnwUs
InChI InChI=1S/C40H42N10O8/c1-57-33-19-5-3-11-25(33)23-43-49-39(55)31-17-9-21-41-35(51)27-13-7-14-28(45-27)36(52)42-22-10-18-32(40(56)50-44-24-26-12-4-6-20-34(26)58-2)48-38(54)30-16-8-15-29(46-30)37(53)47-31/h3-8,11-16,19-20,23-24,31-32H,9-10,17-18,21-22H2,1-2H3,(H,41,51)(H,42,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56)/b43-23+,44-24+
InChIKey LPCCBKLKNHSQTD-ADHDEERNSA-N
Mol Weight 790.8 g/mol
Molecular Formula C40H42N10O8
Exact Mass 790.318708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKh85D4hCpN
Name #6H;4,20-DI-(OXO-2-METHOXY-PHENYL-CARBOHYDRAZONYL-METHYL)-3,8,16,21,27,28-HEXAAZA-2,9,15,22-TETRA-OXO-TRICYCLO-[3,21,1,1(10,14)]-OCTACOSA-1(26),10,12,14,23,25-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42N10O8
InChI InChI=1S/C40H42N10O8/c1-57-33-19-5-3-11-25(33)23-43-49-39(55)31-17-9-21-41-35(51)27-13-7-14-28(45-27)36(52)42-22-10-18-32(40(56)50-44-24-26-12-4-6-20-34(26)58-2)48-38(54)30-16-8-15-29(46-30)37(53)47-31/h3-8,11-16,19-20,23-24,31-32H,9-10,17-18,21-22H2,1-2H3,(H,41,51)(H,42,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56)/b43-23+,44-24+
InChIKey LPCCBKLKNHSQTD-ADHDEERNSA-N
Literature Reference Author O.I.A.EL-SALAM,M.A.AL-OMAR,A.A.FAYED,E.M.FLEFEL,A.E.G.E.AMR
Literature Reference Citation MOLECULES,17,14510(2012)
Literature Reference DOI 10.3390/molecules171214510
Molecular Weight 790.836 g/mol
Sample ID 935
Solvent DMSO-D6