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(Z)-5-[(3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHYLIDENE]-2-THIOXOTHIAZOLIDIN-4-ONE
SpectraBase Compound ID IBa8kBCIvMC
InChI InChI=1S/C14H11N3OS2/c1-9-10(7-12-13(18)15-14(19)20-12)8-17(16-9)11-5-3-2-4-6-11/h2-8H,1H3,(H,15,18,19)/b12-7-
InChIKey UMJHZZKQMSHVPF-GHXNOFRVSA-N
Mol Weight 301.38 g/mol
Molecular Formula C14H11N3OS2
Exact Mass 301.034354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gn1pWCUmWPg
Name (Z)-5-[(3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHYLIDENE]-2-THIOXOTHIAZOLIDIN-4-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11N3OS2
InChI InChI=1S/C14H11N3OS2/c1-9-10(7-12-13(18)15-14(19)20-12)8-17(16-9)11-5-3-2-4-6-11/h2-8H,1H3,(H,15,18,19)/b12-7-
InChIKey UMJHZZKQMSHVPF-GHXNOFRVSA-N
Literature Reference Author A.INSUASTY,J.RAMIREZ,M.RAIMONDI,C.ECHEVERRY,J.QUIROGA,R.ABON IA,M.NOGUERAS,J.COBO
Literature Reference Citation MOLECULES,18,5482(2013)
Literature Reference DOI 10.3390/molecules18055482
Molecular Weight 301.381 g/mol
Solvent DMSO-D6
Source File Reference UWBT9324