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PVJUAXKCHXYNNQ-LXKBMQFRSA-N
SpectraBase Compound ID GE2Keo31awc
InChI InChI=1S/C14H18BrNO/c15-12-6-3-5-10(8-12)14-16-9-11-4-1-2-7-13(11)17-14/h3,5-6,8,11,13-14,16H,1-2,4,7,9H2/t11-,13+,14?/m1/s1
InChIKey PVJUAXKCHXYNNQ-LXKBMQFRSA-N
Mol Weight 296.21 g/mol
Molecular Formula C14H18BrNO
Exact Mass 295.057177 g/mol
Enantiomer InChIKey PVJUAXKCHXYNNQ-MKDGSZCOSA-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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