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7,7,8,8-TETRAMETHYL-2-[4-(3',3',4',4'-TETRAMETHYL-2'-PHENYLOXETAN-2-YL)-BENZOYL]-CIS-AZABICYCLO-[4.2.0]-OCTAN-5-ONE
SpectraBase Compound ID I9cfmKXQPqo
InChI InChI=1S/C31H39NO3/c1-27(2)24-23(33)18-19-32(25(24)28(27,3)4)26(34)20-14-16-22(17-15-20)31(21-12-10-9-11-13-21)29(5,6)30(7,8)35-31/h9-17,24-25H,18-19H2,1-8H3/t24-,25+,31+/m0/s1
InChIKey XXBDKRGJTMOYBQ-NVDQFQLTSA-N
Mol Weight 473.7 g/mol
Molecular Formula C31H39NO3
Exact Mass 473.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 306IKaoygh2
Name 7,7,8,8-TETRAMETHYL-2-[4-(3',3',4',4'-TETRAMETHYL-2'-PHENYLOXETAN-2-YL)-BENZOYL]-CIS-AZABICYCLO-[4.2.0]-OCTAN-5-ONE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39NO3
InChI InChI=1S/C31H39NO3/c1-27(2)24-23(33)18-19-32(25(24)28(27,3)4)26(34)20-14-16-22(17-15-20)31(21-12-10-9-11-13-21)29(5,6)30(7,8)35-31/h9-17,24-25H,18-19H2,1-8H3/t24-,25+,31+/m0/s1
InChIKey XXBDKRGJTMOYBQ-NVDQFQLTSA-N
Literature Reference Author P.GUERRY,P.BLANCO,H.BRODBECK,O.PASTERIS,R.NEIER
Literature Reference Citation HELV.CHIM.ACTA,74,163(1991)
Literature Reference DOI 10.1002/hlca.19910740118
Molecular Weight 473.656 g/mol
Solvent CDCl3
Source File Reference UWVP3514