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#7;1,18(1,3,2)-DIBENZENA-35(4,10)-[ALL-EXO-3,5,9,11-TETRAOXA-4,10-DIBORATETRACYCLO-[5.5.1.0(2,6).0(8,12)]-TRIDECANA]-BICYCLO-[16.16.1]-PENTATRIACONTAPHANE-9,26
SpectraBase Compound ID 8EZYBxkfLTB
InChI InChI=1S/C47H66B2O8/c1-2-6-10-14-18-22-32-51-39-28-26-30-41-43(39)49-56-46-36-35-37(47(46)57-49)45-44(36)54-48(55-45)42-38(50-31-21-17-13-9-5-1)27-25-29-40(42)52-33-23-19-15-11-7-3-4-8-12-16-20-24-34-53-41/h1-4,25-30,36-37,44-47H,5-24,31-35H2/b2-1-,4-3-/t36-,37+,44+,45-,46-,47+
InChIKey ZZXMWDCIDLQVHF-IJCIYUAXSA-N
Mol Weight 780.7 g/mol
Molecular Formula C47H66B2O8
Exact Mass 780.494379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82xtnkBrE1U
Name #7;1,18(1,3,2)-DIBENZENA-35(4,10)-[ALL-EXO-3,5,9,11-TETRAOXA-4,10-DIBORATETRACYCLO-[5.5.1.0(2,6).0(8,12)]-TRIDECANA]-BICYCLO-[16.16.1]-PENTATRIACONTAPHANE-9,26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H66B2O8
InChI InChI=1S/C47H66B2O8/c1-2-6-10-14-18-22-32-51-39-28-26-30-41-43(39)49-56-46-36-35-37(47(46)57-49)45-44(36)54-48(55-45)42-38(50-31-21-17-13-9-5-1)27-25-29-40(42)52-33-23-19-15-11-7-3-4-8-12-16-20-24-34-53-41/h1-4,25-30,36-37,44-47H,5-24,31-35H2/b2-1-,4-3-/t36-,37+,44+,45-,46-,47+
InChIKey ZZXMWDCIDLQVHF-IJCIYUAXSA-N
Literature Reference Author S.LUETHJE,C.BORNHOLDT,U.LUENING
Literature Reference Citation EUR.J.ORG.CHEM.,909(2006)
Molecular Weight 780.656 g/mol
Sample ID 43306
Solvent CDCl3