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#6A;3-FORMYLPHENOXY-[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]-TRIAZACYCLO-PENTADECINATO-(2)-KAPP

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#6A;3-FORMYLPHENOXY-[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]-TRIAZACYCLO-PENTADECINATO-(2)-KAPP
SpectraBase Compound ID FzjkvXKWKp5
InChI InChI=1S/C31H5BF12N6O2/c33-14-8-9(15(34)21(40)20(14)39)27-46-29-12-13(19(38)25(44)24(43)18(12)37)31-47-30-11-10(16(35)22(41)23(42)17(11)36)28-45-26(8)48(27)32(49(28)30,50(29)31)52-7-3-1-2-6(4-7)5-51/h1-5H
InChIKey XFPADDWIUCDPDI-UHFFFAOYSA-N
Mol Weight 732.2 g/mol
Molecular Formula C31H5BF12N6O2
Exact Mass 732.037542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9a5XG0iJho
Name #6A;3-FORMYLPHENOXY-[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]-TRIAZACYCLO-PENTADECINATO-(2)-KAPP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H5BF12N6O2
InChI InChI=1S/C31H5BF12N6O2/c33-14-8-9(15(34)21(40)20(14)39)27-46-29-12-13(19(38)25(44)24(43)18(12)37)31-47-30-11-10(16(35)22(41)23(42)17(11)36)28-45-26(8)48(27)32(49(28)30,50(29)31)52-7-3-1-2-6(4-7)5-51/h1-5H
InChIKey XFPADDWIUCDPDI-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 732.211 g/mol
Sample ID 33164
Solvent CDCl3