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VSMSSRVYJFISCB-UHFFFAOYSA-N
SpectraBase Compound ID 2aeOnnZYRTp
InChI InChI=1S/C27H27N3O.BrH/c1-29(2)26-14-16-30(17-15-26)20-22-8-12-24(13-9-22)23-10-6-21(7-11-23)19-28-25-4-3-5-27(31)18-25;/h3-18,28H,19-20H2,1-2H3;1H
InChIKey VSMSSRVYJFISCB-UHFFFAOYSA-N
Mol Weight 490.45 g/mol
Molecular Formula C27H28BrN3O
Exact Mass 489.141576 g/mol
Parent InChIKey BHKCPTUGTLZCQK-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
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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