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5,5'7,7'-TETRAHYDRO-6,6'-SPIROBI-[6H-DIBEN-[C,E]-AZEPINIUM]-[DELTA-TRIS-(TETRACHLOROBENZENEDIOLATO)-PHOSPHATE]
SpectraBase Compound ID JpiUEkcpfUd
InChI InChI=1S/2C28H24N.2C18Cl12O6P/c2*1-5-13-25-21(9-1)17-29(18-22-10-2-6-14-26(22)25)19-23-11-3-7-15-27(23)28-16-8-4-12-24(28)20-29;2*19-1-2(20)8(26)14-13(7(1)25)31-37(32-14,33-15-9(27)3(21)4(22)10(28)16(15)34-37)35-17-11(29)5(23)6(24)12(30)18(17)36-37/h2*1-16H,17-20H2;;/q2*+1;2*-1
InChIKey GQSMASVLEMBKJT-UHFFFAOYSA-N
Mol Weight 2286.22 g/mol
Molecular Formula C92H48Cl24N2O12P2
Exact Mass 2273.520714 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3IfiRhwORP
Name 5,5'7,7'-TETRAHYDRO-6,6'-SPIROBI-[6H-DIBEN-[C,E]-AZEPINIUM]-[DELTA-TRIS-(TETRACHLOROBENZENEDIOLATO)-PHOSPHATE]
Compound Number 3-[DELTA-5]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C92H48Cl24N2O12P2
InChI InChI=1S/2C28H24N.2C18Cl12O6P/c2*1-5-13-25-21(9-1)17-29(18-22-10-2-6-14-26(22)25)19-23-11-3-7-15-27(23)28-16-8-4-12-24(28)20-29;2*19-1-2(20)8(26)14-13(7(1)25)31-37(32-14,33-15-9(27)3(21)4(22)10(28)16(15)34-37)35-17-11(29)5(23)6(24)12(30)18(17)36-37/h2*1-16H,17-20H2;;/q2*+1;2*-1
InChIKey GQSMASVLEMBKJT-UHFFFAOYSA-N
Literature Reference Author L.VIAL,J.LACOUR
Literature Reference Citation ORG.LETTERS,4,3939(2002)
Literature Reference DOI 10.1021/ol026800r
Solvent CD2Cl2
Source File Reference UWVN33021