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#6B;MIXTURE;3-FORMYLPHENOXY-[2,9,16(17)-TRIIODO-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),KAPPA-N-
SpectraBase Compound ID HkBeCzGwGNR
InChI InChI=1S/2C31H15BI3N6O2/c33-16-4-7-20-23(11-16)29-37-27-22-9-6-18(35)13-25(22)31-38-28-21-8-5-17(34)12-24(21)30-36-26(20)39(29)32(40(28)30,41(27)31)43-19-3-1-2-15(10-19)14-42;33-16-4-7-20-23(11-16)29-37-28-22-9-6-18(35)13-25(22)31-38-30-24-12-17(34)5-8-21(24)27-36-26(20)39(29)32(40(27)30,41(28)31)43-19-3-1-2-15(10-19)14-42/h2*1-14,26H
InChIKey YJDZTBOJTONYFU-UHFFFAOYSA-N
Mol Weight 1790.0 g/mol
Molecular Formula C62H30B2I6N12O4
Exact Mass 1789.696728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNOOM1ioAKY
Name #6B;MIXTURE;3-FORMYLPHENOXY-[2,9,16(17)-TRIIODO-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),KAPPA-N-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H30B2I6N12O4
InChI InChI=1S/2C31H15BI3N6O2/c33-16-4-7-20-23(11-16)29-37-27-22-9-6-18(35)13-25(22)31-38-28-21-8-5-17(34)12-24(21)30-36-26(20)39(29)32(40(28)30,41(27)31)43-19-3-1-2-15(10-19)14-42;33-16-4-7-20-23(11-16)29-37-28-22-9-6-18(35)13-25(22)31-38-30-24-12-17(34)5-8-21(24)27-36-26(20)39(29)32(40(27)30,41(28)31)43-19-3-1-2-15(10-19)14-42/h2*1-14,26H
InChIKey YJDZTBOJTONYFU-UHFFFAOYSA-N
Literature Reference Author D.GONZALEZ-RODRIGUEZ,T.TORRES,D.M.GULDI,J.RIVERA,M.A.HERRANZ ,L.ECHEGOYEN
Literature Reference Citation J.AM.CHEM.SOC.,126,6301(2004)
Literature Reference DOI 10.1021/ja039883v
Molecular Weight 1790.045 g/mol
Sample ID 33165
Solvent CDCl3