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6-TERT.-BUTOXY-1,8,9-TRI-TERT.-BUTYL-4-(N-METHYLANILINO)-3-PHENYL-5-OXA-2-AZATRICYCLO-[5.2.0.0(2,4)]-NONA-6,8-DIEN
SpectraBase Compound ID 4S42MS6YxWR
InChI InChI=1S/C36H50N2O2/c1-31(2,3)26-27-30(39-34(10,11)12)40-36(37(13)25-22-18-15-19-23-25)29(24-20-16-14-17-21-24)38(36)35(27,33(7,8)9)28(26)32(4,5)6/h14-23,29H,1-13H3
InChIKey RQTXHVPKYCNNMV-UHFFFAOYSA-N
Mol Weight 542.8 g/mol
Molecular Formula C36H50N2O2
Exact Mass 542.387229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdvLAlvByb
Name 6-TERT.-BUTOXY-1,8,9-TRI-TERT.-BUTYL-4-(N-METHYLANILINO)-3-PHENYL-5-OXA-2-AZATRICYCLO-[5.2.0.0(2,4)]-NONA-6,8-DIEN
CAS Registry Number 124686-03-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H50N2O2
InChI InChI=1S/C36H50N2O2/c1-31(2,3)26-27-30(39-34(10,11)12)40-36(37(13)25-22-18-15-19-23-25)29(24-20-16-14-17-21-24)38(36)35(27,33(7,8)9)28(26)32(4,5)6/h14-23,29H,1-13H3
InChIKey RQTXHVPKYCNNMV-UHFFFAOYSA-N
Literature Reference Author M.REGITZ,G.MICHELS
Literature Reference Citation CHEM.BER.,123,927(1990)
Literature Reference DOI 10.1002/cber.19901230444
Molecular Weight 542.805 g/mol
Solvent CDCl3
Source File Reference UWED15532