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ZCBHXSIRRYMDJT-UHFFFAOYSA-M
SpectraBase Compound ID FfawT6Xdq4S
InChI InChI=1S/C21H22N3O3.BrH/c1-22(2)19-10-12-23(13-11-19)15-17-6-8-18(9-7-17)16-27-21-5-3-4-20(14-21)24(25)26;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1
InChIKey ZCBHXSIRRYMDJT-UHFFFAOYSA-M
Mol Weight 444.33 g/mol
Molecular Formula C21H22BrN3O3
Exact Mass 443.084455 g/mol
Parent InChIKey KHCOERYQGPEUNJ-UHFFFAOYSA-M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
1 H, 13 C NMR studies of new 3-aminophenol isomers linked to pyridinium salts Magnetic Resonance in Chemistry 2013

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