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JQEOKGILVCLUDO-UHFFFAOYSA-N

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JQEOKGILVCLUDO-UHFFFAOYSA-N
SpectraBase Compound ID IEa4qLKe7c2
InChI InChI=1S/C69H45Br6N6O3P3/c1-40(82)79-76-64(43-13-7-4-8-14-43)37-85(79)67(58-31-46(70)19-25-52(58)53-26-20-47(71)32-59(53)67)86(38-65(77-80(86)41(2)83)44-15-9-5-10-16-44)69(62-35-50(74)23-29-56(62)57-30-24-51(75)36-63(57)69)87(39-66(78-81(87)42(3)84)45-17-11-6-12-18-45)68(85)60-33-48(72)21-27-54(60)55-28-22-49(73)34-61(55)68/h4-39H,1-3H3
InChIKey JQEOKGILVCLUDO-UHFFFAOYSA-N
Mol Weight 1578.5 g/mol
Molecular Formula C69H45Br6N6O3P3
Exact Mass 1571.786628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1NVjejGAK
Name JQEOKGILVCLUDO-UHFFFAOYSA-N
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C69H45Br6N6O3P3
InChI InChI=1S/C69H45Br6N6O3P3/c1-40(82)79-76-64(43-13-7-4-8-14-43)37-85(79)67(58-31-46(70)19-25-52(58)53-26-20-47(71)32-59(53)67)86(38-65(77-80(86)41(2)83)44-15-9-5-10-16-44)69(62-35-50(74)23-29-56(62)57-30-24-51(75)36-63(57)69)87(39-66(78-81(87)42(3)84)45-17-11-6-12-18-45)68(85)60-33-48(72)21-27-54(60)55-28-22-49(73)34-61(55)68/h4-39H,1-3H3
InChIKey JQEOKGILVCLUDO-UHFFFAOYSA-N
Literature Reference Author X.GUO,L.FENG,Z.LI,F.TAO
Literature Reference Citation J.HETCYCL.CHEM.,43,353(2006)
Literature Reference DOI 10.1002/jhet.5570430215
Molecular Weight 1578.500 g/mol
Sample ID 67284
Solvent CDCl3