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2-[5-[(PYRIMIDIN-2-YLTHIO)-METHYL]-1,3,4-OXADIAZOL-2-YLTHIO]-4'-CHLOROACETOPHENONE

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2-[5-[(PYRIMIDIN-2-YLTHIO)-METHYL]-1,3,4-OXADIAZOL-2-YLTHIO]-4'-CHLOROACETOPHENONE
SpectraBase Compound ID Cwn3bFCDoJg
InChI InChI=1S/C15H11ClN4O2S2/c16-11-4-2-10(3-5-11)12(21)8-24-15-20-19-13(22-15)9-23-14-17-6-1-7-18-14/h1-7H,8-9H2
InChIKey KCZDFPVVMYBAFX-UHFFFAOYSA-N
Mol Weight 378.85 g/mol
Molecular Formula C15H11ClN4O2S2
Exact Mass 378.001196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vsWF2IYGYW
Name 2-[5-[(PYRIMIDIN-2-YLTHIO)-METHYL]-1,3,4-OXADIAZOL-2-YLTHIO]-4'-CHLOROACETOPHENONE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11ClN4O2S2
InChI InChI=1S/C15H11ClN4O2S2/c16-11-4-2-10(3-5-11)12(21)8-24-15-20-19-13(22-15)9-23-14-17-6-1-7-18-14/h1-7H,8-9H2
InChIKey KCZDFPVVMYBAFX-UHFFFAOYSA-N
Literature Reference Author Z.A.KAPLANCIKLI
Literature Reference Citation MOLECULES,16,7662(2011)
Literature Reference DOI 10.3390/molecules16097662
Molecular Weight 378.851 g/mol
Sample ID 173
Solvent DMSO-D6