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#2A;PHENOXY-[1,2,3,4,8,9,10,11,15,16,17,18-DODECAFLUORO-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),

View entire compound with spectra: 1 NMR

#2A;PHENOXY-[1,2,3,4,8,9,10,11,15,16,17,18-DODECAFLUORO-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),
SpectraBase Compound ID 7qK9x7HiIqK
InChI InChI=1S/C30H5BF12N6O/c32-13-7-8(14(33)20(39)19(13)38)26-45-28-11-12(18(37)24(43)23(42)17(11)36)30-46-29-10-9(15(34)21(40)22(41)16(10)35)27-44-25(7)47(26)31(48(27)29,49(28)30)50-6-4-2-1-3-5-6/h1-5H
InChIKey JEBKBQOOGFEFKG-UHFFFAOYSA-N
Mol Weight 704.2 g/mol
Molecular Formula C30H5BF12N6O
Exact Mass 704.042627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JOyTb2fxNr
Name #2A;PHENOXY-[1,2,3,4,8,9,10,11,15,16,17,18-DODECAFLUORO-7,12:14,19-DIIMINO-21,5-NITRILO-5H-TRIBENZO-[C,H,M]-[1,6,11]-TRIAZACYCLOPENTADECINATO-(2)-KAPPA-N-(22),
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H5BF12N6O
InChI InChI=1S/C30H5BF12N6O/c32-13-7-8(14(33)20(39)19(13)38)26-45-28-11-12(18(37)24(43)23(42)17(11)36)30-46-29-10-9(15(34)21(40)22(41)16(10)35)27-44-25(7)47(26)31(48(27)29,49(28)30)50-6-4-2-1-3-5-6/h1-5H
InChIKey JEBKBQOOGFEFKG-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 704.200 g/mol
Sample ID 33158
Solvent CDCl3