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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcaMrbxyrAh
Name 1-[2'-(2,2-Dimethylpropionyl)-3,4,1',2',3',4'-hexahydro-1H-[1,1']biisoquinolinyl-2-yl]-2,2-dimethylpropan-1-one
CAS Registry Number 76068-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c1c2CCN(C(=O)C(C)(C)C)C(C3N(CCc4ccccc34)C(=O)C(C)(C)C)c2ccc1
SPLASH splash10-067i-9450000000-df2fdcd3fedbe683c810
Synonyms 1-[1-[2-(2,2-dimethyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-1-propanone 1-[1-[2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one 2,2-Dimethyl-1-[1-(2-pivaloyl-3,4-dihydro-1H-isoquinolin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
Wiley ID 1480000