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#2D;C1-ISOMER;PHENOXY-[2,9,17-TRI-(DIPHENYLAMINO)-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),KAPPA-
SpectraBase Compound ID J2uujoB5bFU
InChI InChI=1S/C66H44BN9O/c1-8-22-45(23-9-1)71(46-24-10-2-11-25-46)51-36-39-55-58(42-51)64-69-63-57-41-38-53(73(49-30-16-5-17-31-49)50-32-18-6-19-33-50)44-60(57)66-70-65-59-43-52(72(47-26-12-3-13-27-47)48-28-14-4-15-29-48)37-40-56(59)62-68-61(55)74(64)67(75(62)65,76(63)66)77-54-34-20-7-21-35-54/h1-44H
InChIKey RNWCQEOJWMZZQV-UHFFFAOYSA-N
Mol Weight 989.9 g/mol
Molecular Formula C66H44BN9O
Exact Mass 989.376187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jpe67x8t4lD
Name #2D;C1-ISOMER;PHENOXY-[2,9,17-TRI-(DIPHENYLAMINO)-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),KAPPA-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H44BN9O
InChI InChI=1S/C66H44BN9O/c1-8-22-45(23-9-1)71(46-24-10-2-11-25-46)51-36-39-55-58(42-51)64-69-63-57-41-38-53(73(49-30-16-5-17-31-49)50-32-18-6-19-33-50)44-60(57)66-70-65-59-43-52(72(47-26-12-3-13-27-47)48-28-14-4-15-29-48)37-40-56(59)62-68-61(55)74(64)67(75(62)65,76(63)66)77-54-34-20-7-21-35-54/h1-44H
InChIKey RNWCQEOJWMZZQV-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 989.945 g/mol
Sample ID 33163
Solvent CDCl3