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#6E;4,20-DI-(OXO-3,4-DICHLORO-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,
SpectraBase Compound ID X9h3cPaQlx
InChI InChI=1S/C38H34Cl4N10O6/c39-23-13-11-21(17-25(23)41)19-45-51-37(57)31-9-3-15-43-33(53)27-5-1-6-28(47-27)34(54)44-16-4-10-32(38(58)52-46-20-22-12-14-24(40)26(42)18-22)50-36(56)30-8-2-7-29(48-30)35(55)49-31/h1-2,5-8,11-14,17-20,31-32H,3-4,9-10,15-16H2,(H,43,53)(H,44,54)(H,49,55)(H,50,56)(H,51,57)(H,52,58)/b45-19+,46-20+
InChIKey JWEZSWYHVZEUGL-DKFPTVNJSA-N
Mol Weight 868.6 g/mol
Molecular Formula C38H34Cl4N10O6
Exact Mass 866.14169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cp61kUkYbQ4
Name #6E;4,20-DI-(OXO-3,4-DICHLORO-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,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H34Cl4N10O6
InChI InChI=1S/C38H34Cl4N10O6/c39-23-13-11-21(17-25(23)41)19-45-51-37(57)31-9-3-15-43-33(53)27-5-1-6-28(47-27)34(54)44-16-4-10-32(38(58)52-46-20-22-12-14-24(40)26(42)18-22)50-36(56)30-8-2-7-29(48-30)35(55)49-31/h1-2,5-8,11-14,17-20,31-32H,3-4,9-10,15-16H2,(H,43,53)(H,44,54)(H,49,55)(H,50,56)(H,51,57)(H,52,58)/b45-19+,46-20+
InChIKey JWEZSWYHVZEUGL-DKFPTVNJSA-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 868.563 g/mol
Sample ID 932
Solvent DMSO-D6