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3,3,6,8b-Tetramethyl-3a-(5-methyl-2-<2,5,5-trimethyl-cyclopentan-1-on-2-yl>-phenylamino)-hexahydro-cyclopent(B)indole
SpectraBase Compound ID DqN849KBFKa
InChI InChI=1S/C30H40N2O/c1-19-9-11-21(28(7)15-13-26(3,4)25(28)33)23(17-19)31-30-27(5,6)14-16-29(30,8)22-12-10-20(2)18-24(22)32-30/h9-12,17-18,31-32H,13-16H2,1-8H3
InChIKey FLFSITKQBIZCKL-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H40N2O
Exact Mass 444.314064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mDGVMn3iRh
Name 3,3,6,8b-Tetramethyl-3a-(5-methyl-2-<2,5,5-trimethyl-cyclopentan-1-on-2-yl>-phenylamino)-hexahydro-cyclopent(B)indole
Comments BRUKER AC 300 SPECTROMETER, HYDROGENATED AT POSITIONS 1,2,3,3A,4,8B
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H40N2O
InChI InChI=1S/C30H40N2O/c1-19-9-11-21(28(7)15-13-26(3,4)25(28)33)23(17-19)31-30-27(5,6)14-16-29(30,8)22-12-10-20(2)18-24(22)32-30/h9-12,17-18,31-32H,13-16H2,1-8H3
InChIKey FLFSITKQBIZCKL-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference J. -Y. Laronze, R. El Boukili, D. Royer, Tetrahedron 47, 4915 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported