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#9BC;1',4'-(4-TERT.-BUTYLPHENYL)-1',3A',4',6A'-TETRAHYDRODISPIRO-(BICYCLO-[2.2.1]-HEPTAN-3,3'-[3H,6H]-ISOXAZOLO-[4,3-C]-ISOXAZOL-6',3''-BICYCLO-[2.2.1]-HEPTAN]-
SpectraBase Compound ID 9VXS3tNctMm
InChI InChI=1S/C36H44N2O4/c1-33(2,3)23-11-15-27(16-12-23)37-29-30(36(41-37)26-10-8-22(20-26)32(36)40)38(28-17-13-24(14-18-28)34(4,5)6)42-35(29)25-9-7-21(19-25)31(35)39/h11-18,21-22,25-26,29-30H,7-10,19-20H2,1-6H3/t21-,22+,25+,26-,29?,30?,35+,36-
InChIKey DGQSKRGSWHNYSP-RHWGVLCSSA-N
Mol Weight 568.8 g/mol
Molecular Formula C36H44N2O4
Exact Mass 568.330108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFhzgvbg31Z
Name #9BC;1',4'-(4-TERT.-BUTYLPHENYL)-1',3A',4',6A'-TETRAHYDRODISPIRO-(BICYCLO-[2.2.1]-HEPTAN-3,3'-[3H,6H]-ISOXAZOLO-[4,3-C]-ISOXAZOL-6',3''-BICYCLO-[2.2.1]-HEPTAN]-
CAS Registry Number 122924-19-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44N2O4
InChI InChI=1S/C36H44N2O4/c1-33(2,3)23-11-15-27(16-12-23)37-29-30(36(41-37)26-10-8-22(20-26)32(36)40)38(28-17-13-24(14-18-28)34(4,5)6)42-35(29)25-9-7-21(19-25)31(35)39/h11-18,21-22,25-26,29-30H,7-10,19-20H2,1-6H3/t21-,22+,25+,26-,29?,30?,35+,36-
InChIKey DGQSKRGSWHNYSP-RHWGVLCSSA-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 568.756 g/mol
Solvent CDCl3
Source File Reference UWCS17072