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1-(4-CHLOROPHENACYL)-3-HYDROXY-4-HYDROXYIMINOMETHYL-5-HYDROXYMETHYL-2-METHYLPYRIDINIUM-BROMIDE
SpectraBase Compound ID KdH4Y9x7VOv
InChI InChI=1S/C16H15ClN2O4.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 UPDRRYQZRSEQSJ-UHFFFAOYSA-N
Mol Weight 415.67 g/mol
Molecular Formula C16H16BrClN2O4
Exact Mass 413.998198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4klFsLqh0sZ
Name 1-(4-CHLOROPHENACYL)-3-HYDROXY-4-HYDROXYIMINOMETHYL-5-HYDROXYMETHYL-2-METHYLPYRIDINIUM-BROMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15BrClN2O4
InChI InChI=1S/C16H15ClN2O4.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 UPDRRYQZRSEQSJ-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 414.663 g/mol
Solvent DMSO-D6
Source File Reference UWIR14736