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(4E)-4-[[1-acetyl-3-(4-fluorophenyl)-4-pyrazolyl]methylidene]-1-phenylpyrazolidine-3,5-dione
SpectraBase Compound ID ERhLSHjvQ78
InChI InChI=1S/C21H15FN4O3/c1-13(27)25-12-15(19(23-25)14-7-9-16(22)10-8-14)11-18-20(28)24-26(21(18)29)17-5-3-2-4-6-17/h2-12H,1H3,(H,24,28)/b18-11+
InChIKey CSPZJGTVAAONIY-WOJGMQOQSA-N
Mol Weight 390.37 g/mol
Molecular Formula C21H15FN4O3
Exact Mass 390.112819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRGm568xnJj
Name (4E)-4-[[1-acetyl-3-(4-fluorophenyl)-4-pyrazolyl]methylidene]-1-phenylpyrazolidine-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15FN4O3
InChI InChI=1S/C21H15FN4O3/c1-13(27)25-12-15(19(23-25)14-7-9-16(22)10-8-14)11-18-20(28)24-26(21(18)29)17-5-3-2-4-6-17/h2-12H,1H3,(H,24,28)/b18-11+
InChIKey CSPZJGTVAAONIY-WOJGMQOQSA-N
Molecular Weight 390.374 g/mol
SMILES N1N(C(\C(C1=O)=C/c1c(n[n](c1)C(=O)C)-c1ccc(cc1)F)=O)c1ccccc1
SPLASH splash10-0007-9735000000-34b3dd573a34c8d0dee9
Synonyms (4E)-4-[[1-acetyl-3-(4-fluorophenyl)pyrazol-4-yl]methylene]-1-phenyl-pyrazolidine-3,5-dione (4E)-4-[[1-acetyl-3-(4-fluorophenyl)pyrazol-4-yl]methylene]-1-phenyl-pyrazolidine-3,5-quinone (4E)-4-[[1-acetyl-3-(4-fluorophenyl)pyrazol-4-yl]methylidene]-1-phenylpyrazolidine-3,5-dione (4E)-4-[[1-ethanoyl-3-(4-fluorophenyl)pyrazol-4-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione
Wiley ID 1442568