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3-HYDROXY-4-HYDROXYIMINOMETHYL-5-HYDROXYMETHYL-2-METHYL-1-(4-METHOXYPHENACYL)-PYRIDINIUM-BROMIDE
SpectraBase Compound ID Hlm1MkLT9QL
InChI InChI=1S/C17H18N2O5.BrH/c1-11-17(22)15(7-18-23)13(10-20)8-19(11)9-16(21)12-3-5-14(24-2)6-4-12;/h3-8,20,22H,9-10H2,1-2H3;1H
InChIKey NXIGNXCOXPDONQ-UHFFFAOYSA-N
Mol Weight 411.25 g/mol
Molecular Formula C17H19BrN2O5
Exact Mass 410.047735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1chZWT2wZG
Name 3-HYDROXY-4-HYDROXYIMINOMETHYL-5-HYDROXYMETHYL-2-METHYL-1-(4-METHOXYPHENACYL)-PYRIDINIUM-BROMIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18BrN2O5
InChI InChI=1S/C17H18N2O5.BrH/c1-11-17(22)15(7-18-23)13(10-20)8-19(11)9-16(21)12-3-5-14(24-2)6-4-12;/h3-8,20,22H,9-10H2,1-2H3;1H
InChIKey NXIGNXCOXPDONQ-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 410.244 g/mol
Solvent DMSO-D6
Source File Reference UWIR14742