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#5B;4,20-DI-[OXO-2-(AMINO-4,5,6,7-TETRACHLORO-1H-ISOINDOLE-1,3(2H)-DIONE)-METHYL]-3,8,16,21,27,28-HEXAAZA-2,9,15,22-TETRA-OXO-TRICYCLO-[3,21,1,1(10,14)]-OCTACO
SpectraBase Compound ID JTLVQgblJ2H
InChI InChI=1S/C40H26Cl8N10O10/c41-23-19-20(24(42)28(46)27(23)45)38(66)57(37(19)65)55-35(63)17-9-3-11-49-31(59)13-5-1-6-14(51-13)32(60)50-12-4-10-18(54-34(62)16-8-2-7-15(52-16)33(61)53-17)36(64)56-58-39(67)21-22(40(58)68)26(44)30(48)29(47)25(21)43/h1-2,5-8,17-18H,3-4,9-12H2,(H,49,59)(H,50,60)(H,53,61)(H,54,62)(H,55,63)(H,56,64)
InChIKey SFBKVUAMNHJTGP-UHFFFAOYSA-N
Mol Weight 1090.3 g/mol
Molecular Formula C40H26Cl8N10O10
Exact Mass 1085.934159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjttwETR9Rc
Name #5B;4,20-DI-[OXO-2-(AMINO-4,5,6,7-TETRACHLORO-1H-ISOINDOLE-1,3(2H)-DIONE)-METHYL]-3,8,16,21,27,28-HEXAAZA-2,9,15,22-TETRA-OXO-TRICYCLO-[3,21,1,1(10,14)]-OCTACO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H26Cl8N10O10
InChI InChI=1S/C40H26Cl8N10O10/c41-23-19-20(24(42)28(46)27(23)45)38(66)57(37(19)65)55-35(63)17-9-3-11-49-31(59)13-5-1-6-14(51-13)32(60)50-12-4-10-18(54-34(62)16-8-2-7-15(52-16)33(61)53-17)36(64)56-58-39(67)21-22(40(58)68)26(44)30(48)29(47)25(21)43/h1-2,5-8,17-18H,3-4,9-12H2,(H,49,59)(H,50,60)(H,53,61)(H,54,62)(H,55,63)(H,56,64)
InChIKey SFBKVUAMNHJTGP-UHFFFAOYSA-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 1090.331 g/mol
Sample ID 927
Solvent DMSO-D6