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(Z)-5-[(3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHYLIDENE]-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL-ACETIC-ACID
SpectraBase Compound ID DYUOwbHljNl
InChI InChI=1S/C16H13N3O3S2/c1-10-11(8-19(17-10)12-5-3-2-4-6-12)7-13-15(22)18(9-14(20)21)16(23)24-13/h2-8H,9H2,1H3,(H,20,21)/b13-7-
InChIKey RZVDDHGQQJKRKM-QPEQYQDCSA-N
Mol Weight 359.42 g/mol
Molecular Formula C16H13N3O3S2
Exact Mass 359.039834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GioE6UoI3Hc
Name (Z)-5-[(3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHYLIDENE]-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL-ACETIC-ACID
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N3O3S2
InChI InChI=1S/C16H13N3O3S2/c1-10-11(8-19(17-10)12-5-3-2-4-6-12)7-13-15(22)18(9-14(20)21)16(23)24-13/h2-8H,9H2,1H3,(H,20,21)/b13-7-
InChIKey RZVDDHGQQJKRKM-QPEQYQDCSA-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 359.418 g/mol
Solvent DMSO-D6
Source File Reference UWBT9329