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#2B;C1-ISOMER;PHENOXY-[2,9,17-TRIIODO-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),KAPPA-N-(23),KAPPA

View entire compound with spectra: 1 NMR

#2B;C1-ISOMER;PHENOXY-[2,9,17-TRIIODO-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),KAPPA-N-(23),KAPPA
SpectraBase Compound ID KkN8SxneRD
InChI InChI=1S/C30H14BI3N6O/c32-15-6-9-19-22(12-15)28-36-27-21-11-8-17(34)14-24(21)30-37-29-23-13-16(33)7-10-20(23)26-35-25(19)38(28)31(39(26)29,40(27)30)41-18-4-2-1-3-5-18/h1-14H
InChIKey VIKHJKSRKBQAGS-UHFFFAOYSA-N
Mol Weight 866.0 g/mol
Molecular Formula C30H14BI3N6O
Exact Mass 865.845624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlB5cNASdBQ
Name #2B;C1-ISOMER;PHENOXY-[2,9,17-TRIIODO-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),KAPPA-N-(23),KAPPA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H14BI3N6O
InChI InChI=1S/C30H14BI3N6O/c32-15-6-9-19-22(12-15)28-36-27-21-11-8-17(34)14-24(21)30-37-29-23-13-16(33)7-10-20(23)26-35-25(19)38(28)31(39(26)29,40(27)30)41-18-4-2-1-3-5-18/h1-14H
InChIKey VIKHJKSRKBQAGS-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 866.004 g/mol
Sample ID 33160
Solvent CDCl3