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1',3A',4',6A'-TETRAHYDRO-3,3''-DIISOPROPYL-6,6''-DIMETHYL-1',4'-BIS-(4-METHYLPHENYL)-DISPIRO-[CYCLOHEXAN-1,3'-[3H,6H]-ISOXAZOLO-[4,3-C]-ISOXAZOL-6',1''-CYCLOHEXAN
SpectraBase Compound ID KTuCFSp36qV
InChI InChI=1S/C36H48N2O4/c1-21(2)29-19-13-25(7)35(33(29)39)31-32(38(41-35)28-17-11-24(6)12-18-28)36(26(8)14-20-30(22(3)4)34(36)40)42-37(31)27-15-9-23(5)10-16-27/h9-12,15-18,21-22,25-26,29-32H,13-14,19-20H2,1-8H3
InChIKey LLYLJBMDCLKLER-UHFFFAOYSA-N
Mol Weight 572.8 g/mol
Molecular Formula C36H48N2O4
Exact Mass 572.361408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9A3LPKQ01DX
Name 1',3A',4',6A'-TETRAHYDRO-3,3''-DIISOPROPYL-6,6''-DIMETHYL-1',4'-BIS-(4-METHYLPHENYL)-DISPIRO-[CYCLOHEXAN-1,3'-[3H,6H]-ISOXAZOLO-[4,3-C]-ISOXAZOL-6',1''-CYCLOHEXAN
CAS Registry Number 122901-74-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48N2O4
InChI InChI=1S/C36H48N2O4/c1-21(2)29-19-13-25(7)35(33(29)39)31-32(38(41-35)28-17-11-24(6)12-18-28)36(26(8)14-20-30(22(3)4)34(36)40)42-37(31)27-15-9-23(5)10-16-27/h9-12,15-18,21-22,25-26,29-32H,13-14,19-20H2,1-8H3
InChIKey LLYLJBMDCLKLER-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 572.788 g/mol
Solvent CDCl3
Source File Reference UWCS17070