John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12KpnIsGWMz

(accessed ).
KLUABUGKFQICOI-PGJSQRTPSA-N
SpectraBase Compound ID 12KpnIsGWMz
InChI InChI=1S/C27H22N2O3/c1-16-10-9-15-19-20(16)26(2)21-22(24(31)29(23(21)30)18-13-7-4-8-14-18)27(19,28-25(26)32)17-11-5-3-6-12-17/h3-15,21-22H,1-2H3,(H,28,32)/t21?,22?,26-,27+/m1/s1
InChIKey KLUABUGKFQICOI-PGJSQRTPSA-N
Mol Weight 422.48 g/mol
Molecular Formula C27H22N2O3
Exact Mass 422.163043 g/mol
Enantiomer InChIKey KLUABUGKFQICOI-MSIWLXHVSA-N
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
1H and 13C nuclear magnetic resonance studies on the Diels–Alder adducts of isoquinolin-3(2H)-ones Canadian Journal of Chemistry 1985
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