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#6C;4,20-DI-(OXO-4-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 3UczaiJI0VW
InChI InChI=1S/C38H36Br2N10O6/c39-25-15-11-23(12-16-25)21-43-49-37(55)31-9-3-19-41-33(51)27-5-1-6-28(45-27)34(52)42-20-4-10-32(38(56)50-44-22-24-13-17-26(40)18-14-24)48-36(54)30-8-2-7-29(46-30)35(53)47-31/h1-2,5-8,11-18,21-22,31-32H,3-4,9-10,19-20H2,(H,41,51)(H,42,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56)/b43-21+,44-22+
InChIKey VDAYHKDLIAJUBS-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 1GWuUSajTfN
Name #6C;4,20-DI-(OXO-4-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/c39-25-15-11-23(12-16-25)21-43-49-37(55)31-9-3-19-41-33(51)27-5-1-6-28(45-27)34(52)42-20-4-10-32(38(56)50-44-22-24-13-17-26(40)18-14-24)48-36(54)30-8-2-7-29(46-30)35(53)47-31/h1-2,5-8,11-18,21-22,31-32H,3-4,9-10,19-20H2,(H,41,51)(H,42,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56)/b43-21+,44-22+
InChIKey VDAYHKDLIAJUBS-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 930
Solvent DMSO-D6