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1-(4'-BROMOPHENACYL)-3-HYDROXY-4-HYDROXYIMINOMETHYL-5-HYDROXYMETHYL-2-METHYLPYRIDINIUM-BROMIDE
SpectraBase Compound ID 6l2nbGGv03M
InChI InChI=1S/C16H15BrN2O4.BrH/c1-10-16(22)14(6-18-23)12(9-20)7-19(10)8-15(21)11-2-4-13(17)5-3-11;/h2-7,20,22H,8-9H2,1H3;1H
InChIKey GKOYDDRKNXLMDH-UHFFFAOYSA-N
Mol Weight 460.12 g/mol
Molecular Formula C16H16Br2N2O4
Exact Mass 457.947683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8q1CPESt9GB
Name 1-(4'-BROMOPHENACYL)-3-HYDROXY-4-HYDROXYIMINOMETHYL-5-HYDROXYMETHYL-2-METHYLPYRIDINIUM-BROMIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15Br2N2O4
InChI InChI=1S/C16H15BrN2O4.BrH/c1-10-16(22)14(6-18-23)12(9-20)7-19(10)8-15(21)11-2-4-13(17)5-3-11;/h2-7,20,22H,8-9H2,1H3;1H
InChIKey GKOYDDRKNXLMDH-UHFFFAOYSA-N
Literature Reference Author D.GASO-SOKAC,V.BUSIC,M.CETINA,M.JUKIC
Literature Reference Citation MOLECULES,19,7610(2014)
Literature Reference DOI 10.3390/molecules19067610
Molecular Weight 459.114 g/mol
Solvent DMSO-D6
Source File Reference UWIR14737