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(6-Ethoxyquinolin-4-yl)({5-ethyl-1-azabicyclo[2.2.2]octan-2-yl})methanol, acetate
SpectraBase Compound ID EXDLaJkXSnr
InChI InChI=1S/C23H30N2O3/c1-4-16-14-25-11-9-17(16)12-22(25)23(28-15(3)26)19-8-10-24-21-7-6-18(27-5-2)13-20(19)21/h6-8,10,13,16-17,22-23H,4-5,9,11-12,14H2,1-3H3
InChIKey SQAJLMWRAFWFEH-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C23H30N2O3
Exact Mass 382.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VAAdSFIWR3
Name (6-Ethoxyquinolin-4-yl)({5-ethyl-1-azabicyclo[2.2.2]octan-2-yl})methanol, acetate
Comments Computed using HOSE algorithm
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Exact Mass 382.225642831 u
Formula C23H30N2O3
InChI InChI=1S/C23H30N2O3/c1-4-16-14-25-11-9-17(16)12-22(25)23(28-15(3)26)19-8-10-24-21-7-6-18(27-5-2)13-20(19)21/h6-8,10,13,16-17,22-23H,4-5,9,11-12,14H2,1-3H3
InChIKey SQAJLMWRAFWFEH-UHFFFAOYSA-N
Molecular Weight 382.504 g/mol
SMILES C(OC(C)=O)(C1=C2C(C=CC(=C2)OCC)=NC=C1)C1N2CC(C(C1)CC2)CC