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4H-imidazol-4-one, 5-(1,3-benzodioxol-5-ylmethylene)-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3,5-dihydro-3-phenyl-, (5E)-

View entire compound with spectra: 2 NMR

4H-imidazol-4-one, 5-(1,3-benzodioxol-5-ylmethylene)-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3,5-dihydro-3-phenyl-, (5E)-
SpectraBase Compound ID APF3yTHv5Qu
InChI InChI=1S/C25H17FN2O4S/c26-18-9-7-17(8-10-18)21(29)14-33-25-27-20(24(30)28(25)19-4-2-1-3-5-19)12-16-6-11-22-23(13-16)32-15-31-22/h1-13H,14-15H2/b20-12+
InChIKey FLWVLFWGQVHUCY-UDWIEESQSA-N
Mol Weight 460.48 g/mol
Molecular Formula C25H17FN2O4S
Exact Mass 460.089306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrIWwMb2FR0
Name 4H-Imidazol-4-one, 5-(1,3-benzodioxol-5-ylmethylene)-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3,5-dihydro-3-phenyl-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.089306368 u
Formula C25H17FN2O4S
InChI InChI=1S/C25H17FN2O4S/c26-18-9-7-17(8-10-18)21(29)14-33-25-27-20(24(30)28(25)19-4-2-1-3-5-19)12-16-6-11-22-23(13-16)32-15-31-22/h1-13H,14-15H2/b20-12+
InChIKey FLWVLFWGQVHUCY-UDWIEESQSA-N
Molecular Weight 460.479 g/mol
SMILES C=1C=CC(N2C(=N\C(C2=O)=C/C2=CC=3OCOC3C=C2)SCC(C=2C=CC(=CC2)F)=O)=CC1