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1-[(PYRIMIDIN-2-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID Eutjta0OnpA
InChI InChI=1S/C19H15ClN4OS2/c20-14-6-4-13(5-7-14)16-11-15(17-3-1-10-26-17)23-24(16)18(25)12-27-19-21-8-2-9-22-19/h1-10,16H,11-12H2
InChIKey MRQZHBGPCZAQIF-UHFFFAOYSA-N
Mol Weight 414.93 g/mol
Molecular Formula C19H15ClN4OS2
Exact Mass 414.037581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKRQdAhfFFY
Name 1-[(PYRIMIDIN-2-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H15ClN4OS2
InChI InChI=1S/C19H15ClN4OS2/c20-14-6-4-13(5-7-14)16-11-15(17-3-1-10-26-17)23-24(16)18(25)12-27-19-21-8-2-9-22-19/h1-10,16H,11-12H2
InChIKey MRQZHBGPCZAQIF-UHFFFAOYSA-N
Literature Reference Author M.KARABACAK,M.D.ALTINTOP,H.I.CIFTCI,R.KOGA,M.OTSUKA,M.FUJITA ,A.OEZDEMIR
Literature Reference Citation MOLECULES,20,19066(2015)
Literature Reference DOI 10.3390/molecules201019066
Molecular Weight 414.927 g/mol
Solvent DMSO-D6
Source File Reference UWPA5269