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#6B;4,20-DI-(OXO-3-BROMO-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-HE
SpectraBase Compound ID 1O7ZKbVkZI9
InChI InChI=1S/C38H36Br2N10O6/c39-25-9-1-7-23(19-25)21-43-49-37(55)31-15-5-17-41-33(51)27-11-3-12-28(45-27)34(52)42-18-6-16-32(38(56)50-44-22-24-8-2-10-26(40)20-24)48-36(54)30-14-4-13-29(46-30)35(53)47-31/h1-4,7-14,19-22,31-32H,5-6,15-18H2,(H,41,51)(H,42,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56)/b43-21+,44-22+
InChIKey MJJVPHCLMFSFIN-WJWPHBLNSA-N
Mol Weight 888.6 g/mol
Molecular Formula C38H36Br2N10O6
Exact Mass 886.118605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AGCbOuH1DZ
Name #6B;4,20-DI-(OXO-3-BROMO-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-HE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H36Br2N10O6
InChI InChI=1S/C38H36Br2N10O6/c39-25-9-1-7-23(19-25)21-43-49-37(55)31-15-5-17-41-33(51)27-11-3-12-28(45-27)34(52)42-18-6-16-32(38(56)50-44-22-24-8-2-10-26(40)20-24)48-36(54)30-14-4-13-29(46-30)35(53)47-31/h1-4,7-14,19-22,31-32H,5-6,15-18H2,(H,41,51)(H,42,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56)/b43-21+,44-22+
InChIKey MJJVPHCLMFSFIN-WJWPHBLNSA-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 888.575 g/mol
Sample ID 929
Solvent DMSO-D6