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1-[2'-(2,2-Dimethylpropionyl)-3,4,1',2',3',4'-hexahydro-1H-[1,1']biisoquinolinyl-2-yl]-2,2-dimethylpropan-1-one

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1-[2'-(2,2-Dimethylpropionyl)-3,4,1',2',3',4'-hexahydro-1H-[1,1']biisoquinolinyl-2-yl]-2,2-dimethylpropan-1-one
SpectraBase Compound ID EsOl13MetHS
InChI InChI=1S/C28H36N2O2/c1-27(2,3)25(31)29-17-15-19-11-7-9-13-21(19)23(29)24-22-14-10-8-12-20(22)16-18-30(24)26(32)28(4,5)6/h7-14,23-24H,15-18H2,1-6H3
InChIKey YTZOGEQJPNNKPB-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C28H36N2O2
Exact Mass 432.277678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3GhbIts39w
Name 1-[2'-(2,2-Dimethylpropionyl)-3,4,1',2',3',4'-hexahydro-1H-[1,1']biisoquinolinyl-2-yl]-2,2-dimethylpropan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.277678405 u
Formula C28H36N2O2
InChI InChI=1S/C28H36N2O2/c1-27(2,3)25(31)29-17-15-19-11-7-9-13-21(19)23(29)24-22-14-10-8-12-20(22)16-18-30(24)26(32)28(4,5)6/h7-14,23-24H,15-18H2,1-6H3
InChIKey YTZOGEQJPNNKPB-UHFFFAOYSA-N
Molecular Weight 432.608 g/mol
SMILES C1=C2CCN(C(C(C)(C)C)=O)C(C2=CC=C1)C1N(CCC=2C1=CC=CC2)C(C(C)(C)C)=O