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4-(2,4-dihydro-1H-3,1-benzoxazin-2-yl)benzonitrile
SpectraBase Compound ID GnENzy2lxOp
InChI InChI=1S/C15H12N2O/c16-9-11-5-7-12(8-6-11)15-17-14-4-2-1-3-13(14)10-18-15/h1-8,15,17H,10H2
InChIKey XHZPMCJNPFUIOI-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C15H12N2O
Exact Mass 236.094963 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3;0.2M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6;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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