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#6C;3-FORMYLPHENOXY-[2,3,9,10,16,17-TRI-[BENZO-[1,4]-DIOXINE]-7,12:14,19-DIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-
SpectraBase Compound ID EqQ531ngQWg
InChI InChI=1S/C49H23BN6O8/c57-23-24-8-7-9-25(16-24)64-50-54-44-26-17-38-39(59-33-11-2-1-10-32(33)58-38)18-27(26)45(54)52-47-30-21-42-43(63-37-15-6-5-14-36(37)62-42)22-31(30)49(56(47)50)53-48-29-20-41-40(19-28(29)46(51-44)55(48)50)60-34-12-3-4-13-35(34)61-41/h1-23H
InChIKey LYAULSYCEDEGTE-UHFFFAOYSA-N
Mol Weight 834.6 g/mol
Molecular Formula C49H23BN6O8
Exact Mass 834.167042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDDS8ORtNtk
Name #6C;3-FORMYLPHENOXY-[2,3,9,10,16,17-TRI-[BENZO-[1,4]-DIOXINE]-7,12:14,19-DIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H23BN6O8
InChI InChI=1S/C49H23BN6O8/c57-23-24-8-7-9-25(16-24)64-50-54-44-26-17-38-39(59-33-11-2-1-10-32(33)58-38)18-27(26)45(54)52-47-30-21-42-43(63-37-15-6-5-14-36(37)62-42)22-31(30)49(56(47)50)53-48-29-20-41-40(19-28(29)46(51-44)55(48)50)60-34-12-3-4-13-35(34)61-41/h1-23H
InChIKey LYAULSYCEDEGTE-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 834.567 g/mol
Sample ID 33166
Solvent CDCl3