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MRNACCOMMUJMCY-DOPJRALCSA-N
SpectraBase Compound ID pjrYLkbYJI
InChI InChI=1S/C18H22N2O/c1-13-17(14-7-5-4-6-8-14)21-18(19-13)15-9-11-16(12-10-15)20(2)3/h4-13,17-19H,1-3H3/t13-,17-,18+/m0/s1
InChIKey MRNACCOMMUJMCY-DOPJRALCSA-N
Mol Weight 282.39 g/mol
Molecular Formula C18H22N2O
Exact Mass 282.173213 g/mol
Enantiomer InChIKey MRNACCOMMUJMCY-XWIAVFTESA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3;0.2M
Title Journal or Book Year
Substituent Influences on the Stability of the Ring and Chain Tautomers in 1,3-O,N-Heterocyclic Systems:  Characterization by 13C NMR Chemical Shifts, PM3 Charge Densities, and Isodesmic Reactions The Journal of Organic Chemistry 2001

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