John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=56Uwm2TDbIk SpectraBase Spectrum ID=2VVrpEFSBs5

(accessed ).
2-[5-[(PYRIMIDIN-2-YLTHIO)-METHYL]-1,3,4-OXADIAZOL-2-YLTHIO]-3'-NITROACETOPHENONE
SpectraBase Compound ID 56Uwm2TDbIk
InChI InChI=1S/C15H11N5O4S2/c21-12(10-3-1-4-11(7-10)20(22)23)8-26-15-19-18-13(24-15)9-25-14-16-5-2-6-17-14/h1-7H,8-9H2
InChIKey IOWDDDAWMNQOCN-UHFFFAOYSA-N
Mol Weight 389.4 g/mol
Molecular Formula C15H11N5O4S2
Exact Mass 389.025248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VVrpEFSBs5
Name 2-[5-[(PYRIMIDIN-2-YLTHIO)-METHYL]-1,3,4-OXADIAZOL-2-YLTHIO]-3'-NITROACETOPHENONE
Compound Number 4D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11N5O4S2
InChI InChI=1S/C15H11N5O4S2/c21-12(10-3-1-4-11(7-10)20(22)23)8-26-15-19-18-13(24-15)9-25-14-16-5-2-6-17-14/h1-7H,8-9H2
InChIKey IOWDDDAWMNQOCN-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 175
Solvent DMSO-D6
SpectraBase Batch ID JnhRwhkTwXC