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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[1-[[2-(4-hydroxyphenyl)ethyl]amino]ethylidene]-5-(4-methoxyphenyl)-, (4Z)-

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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[1-[[2-(4-hydroxyphenyl)ethyl]amino]ethylidene]-5-(4-methoxyphenyl)-, (4Z)-
SpectraBase Compound ID L0dEiegxyEU
InChI InChI=1S/C26H24FN3O3/c1-17(28-16-15-18-3-11-22(31)12-4-18)24-25(19-5-13-23(33-2)14-6-19)29-30(26(24)32)21-9-7-20(27)8-10-21/h3-14,28,31H,15-16H2,1-2H3/b24-17-
InChIKey YZFUTKLBRRKFMK-ULJHMMPZSA-N
Mol Weight 445.49 g/mol
Molecular Formula C26H24FN3O3
Exact Mass 445.18017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XVO24415l0
Name 3H-Pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[1-[[2-(4-hydroxyphenyl)ethyl]amino]ethylidene]-5-(4-methoxyphenyl)-, (4Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.180169805 u
Formula C26H24FN3O3
InChI InChI=1S/C26H24FN3O3/c1-17(28-16-15-18-3-11-22(31)12-4-18)24-25(19-5-13-23(33-2)14-6-19)29-30(26(24)32)21-9-7-20(27)8-10-21/h3-14,28,31H,15-16H2,1-2H3/b24-17-
InChIKey YZFUTKLBRRKFMK-ULJHMMPZSA-N
Molecular Weight 445.494 g/mol
SMILES N(\C(=C/1C(N(C=2C=CC(=CC2)F)N=C1C=1C=CC(=CC1)OC)=O)C)CCC1=CC=C(C=C1)O