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IUTJFYMWPWXECW-UHFFFAOYSA-N
SpectraBase Compound ID L1sOyJPWS45
InChI InChI=1S/2C13H12N2O4/c2*1-18-12(16)10-8-11(13(17)19-2)15(14-10)9-6-4-3-5-7-9/h2*3-8H,1-2H3
InChIKey IUTJFYMWPWXECW-UHFFFAOYSA-N
Mol Weight 520.5 g/mol
Molecular Formula C26H24N4O8
Exact Mass 520.159414 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
DFT-Based Quantitative Prediction of Regioselectivity:  Cycloaddition of Nitrilimines to Methyl Propiolate The Journal of Organic Chemistry 2001

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