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[5-CHLORO-2-(METHYLTHIO)-PYRIMIDIN-4-YL]-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE

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[5-CHLORO-2-(METHYLTHIO)-PYRIMIDIN-4-YL]-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
SpectraBase Compound ID JCIDSMSuikW
InChI InChI=1S/C16H13ClN4O2S/c1-9-12(14(22)13-11(17)8-18-16(19-13)24-2)15(23)21(20-9)10-6-4-3-5-7-10/h3-8,23H,1-2H3
InChIKey NVBNFUFIUVHUMB-UHFFFAOYSA-N
Mol Weight 360.82 g/mol
Molecular Formula C16H13ClN4O2S
Exact Mass 360.044775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Diu1lwz5cLh
Name [5-CHLORO-2-(METHYLTHIO)-PYRIMIDIN-4-YL]-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13ClN4O2S
InChI InChI=1S/C16H13ClN4O2S/c1-9-12(14(22)13-11(17)8-18-16(19-13)24-2)15(23)21(20-9)10-6-4-3-5-7-10/h3-8,23H,1-2H3
InChIKey NVBNFUFIUVHUMB-UHFFFAOYSA-N
Literature Reference Author G.A.ELLER,W.HOLZER
Literature Reference Citation MOLECULES,12,60(2007)
Literature Reference DOI 10.3390/12010060
Molecular Weight 360.818 g/mol
Sample ID 46350
Solvent DMSO-D6