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

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2-[5-[(PYRIMIDIN-2-YLTHIO)-METHYL]-1,3,4-OXADIAZOL-2-YLTHIO]-4'-NITROACETOPHENONE
SpectraBase Compound ID 9y5NWE1Q9Lp
InChI InChI=1S/C15H11N5O4S2/c21-12(10-2-4-11(5-3-10)20(22)23)8-26-15-19-18-13(24-15)9-25-14-16-6-1-7-17-14/h1-7H,8-9H2
InChIKey WRLOJXUCMAGXTE-UHFFFAOYSA-N
Mol Weight 389.4 g/mol
Molecular Formula C15H11N5O4S2
Exact Mass 389.025246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1QfIgWauNx
Name 2-[5-[(PYRIMIDIN-2-YLTHIO)-METHYL]-1,3,4-OXADIAZOL-2-YLTHIO]-4'-NITROACETOPHENONE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11N5O4S2
InChI InChI=1S/C15H11N5O4S2/c21-12(10-2-4-11(5-3-10)20(22)23)8-26-15-19-18-13(24-15)9-25-14-16-6-1-7-17-14/h1-7H,8-9H2
InChIKey WRLOJXUCMAGXTE-UHFFFAOYSA-N
Literature Reference Author Z.A.KAPLANCIKLI
Literature Reference Citation MOLECULES,16,7662(2011)
Literature Reference DOI 10.3390/molecules16097662
Molecular Weight 389.403 g/mol
Sample ID 174
Solvent DMSO-D6