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2-[1-(4-METHYLPHENYLHYDRAZONO)-2-OXOPROPYLMERCAPTO]-PYRIDINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID Bsh1X2qIJB9
InChI InChI=1S/C16H15N3O3S/c1-10-5-7-12(8-6-10)18-19-14(11(2)20)23-15-13(16(21)22)4-3-9-17-15/h3-9,18H,1-2H3,(H,21,22)/b19-14+
InChIKey WWWHWSKQBKIBOF-XMHGGMMESA-N
Mol Weight 329.37 g/mol
Molecular Formula C16H15N3O3S
Exact Mass 329.083413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjKwAb8QdNM
Name 2-[1-(4-METHYLPHENYLHYDRAZONO)-2-OXOPROPYLMERCAPTO]-PYRIDINE-3-CARBOXYLIC-ACID
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N3O3S
InChI InChI=1S/C16H15N3O3S/c1-10-5-7-12(8-6-10)18-19-14(11(2)20)23-15-13(16(21)22)4-3-9-17-15/h3-9,18H,1-2H3,(H,21,22)/b19-14+
InChIKey WWWHWSKQBKIBOF-XMHGGMMESA-N
Literature Reference Author J.A.ZAHRA,B.A.THAHER,M.M.EL-ABADELAH,H.H.OTTO
Literature Reference Citation MH.CHEM.,136,567(2005)
Literature Reference DOI 10.1007/s00706-004-0227-1
Molecular Weight 329.373 g/mol
Solvent DMSO-D6
Source File Reference UWSI23613