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(Z)-5-[(1,3-DIPHENYL-1H-PYRAZOL-4-YL)-METHYLIDENE]-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL-ACETIC-ACID
SpectraBase Compound ID TH10yyCfaL
InChI InChI=1S/C21H15N3O3S2/c25-18(26)13-23-20(27)17(29-21(23)28)11-15-12-24(16-9-5-2-6-10-16)22-19(15)14-7-3-1-4-8-14/h1-12H,13H2,(H,25,26)/b17-11-
InChIKey QFQDHIXYDLKLMU-BOPFTXTBSA-N
Mol Weight 421.49 g/mol
Molecular Formula C21H15N3O3S2
Exact Mass 421.055484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVCsgGEvda9
Name (Z)-5-[(1,3-DIPHENYL-1H-PYRAZOL-4-YL)-METHYLIDENE]-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL-ACETIC-ACID
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N3O3S2
InChI InChI=1S/C21H15N3O3S2/c25-18(26)13-23-20(27)17(29-21(23)28)11-15-12-24(16-9-5-2-6-10-16)22-19(15)14-7-3-1-4-8-14/h1-12H,13H2,(H,25,26)/b17-11-
InChIKey QFQDHIXYDLKLMU-BOPFTXTBSA-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 421.488 g/mol
Solvent DMSO-D6
Source File Reference UWBT9331