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1',4'-BIS-(4-TERT.-BUTYLPHENYL)-1',3A',4',6A'-TETRAHYDRO-3,3,3'',3''-TETRAMETHYLDISPIRO-[INDAN-2,3'-[3H,6H]-ISOXAZOLO-[4,3-C]-ISOXAZOL-6',2''-INDAN]-1,1''-DIONE;CO
SpectraBase Compound ID FOcXMkOHiK6
InChI InChI=1S/C44H48N2O4/c1-39(2,3)27-19-23-29(24-20-27)45-35-36(44(49-45)38(48)32-16-12-14-18-34(32)42(44,9)10)46(30-25-21-28(22-26-30)40(4,5)6)50-43(35)37(47)31-15-11-13-17-33(31)41(43,7)8/h11-26,35-36H,1-10H3
InChIKey KXHRSGKRGIXXHA-UHFFFAOYSA-N
Mol Weight 668.9 g/mol
Molecular Formula C44H48N2O4
Exact Mass 668.361408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7NsDNvkvtrk
Name 1',4'-BIS-(4-TERT.-BUTYLPHENYL)-1',3A',4',6A'-TETRAHYDRO-3,3,3'',3''-TETRAMETHYLDISPIRO-[INDAN-2,3'-[3H,6H]-ISOXAZOLO-[4,3-C]-ISOXAZOL-6',2''-INDAN]-1,1''-DIONE;CO
CAS Registry Number 122924-20-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H48N2O4
InChI InChI=1S/C44H48N2O4/c1-39(2,3)27-19-23-29(24-20-27)45-35-36(44(49-45)38(48)32-16-12-14-18-34(32)42(44,9)10)46(30-25-21-28(22-26-30)40(4,5)6)50-43(35)37(47)31-15-11-13-17-33(31)41(43,7)8/h11-26,35-36H,1-10H3
InChIKey KXHRSGKRGIXXHA-UHFFFAOYSA-N
Literature Reference Author H.G.AURICH,M.FRANZKE,H.P.KESSELHEIM,W.KESSLER,W.MASSA,S.WOCA DLO
Literature Reference Citation CHEM.BER.,123,513(1990)
Literature Reference DOI 10.1002/cber.19901230318
Molecular Weight 668.876 g/mol
Solvent CDCl3
Source File Reference UWCS17071