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(4Z)-2-(2-fluorophenyl)-4-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-oxazol-5(4H)-one
SpectraBase Compound ID 3Z45ol7Jt8N
InChI InChI=1S/C21H11F4NO3/c22-16-7-2-1-6-15(16)19-26-17(20(27)29-19)11-14-8-9-18(28-14)12-4-3-5-13(10-12)21(23,24)25/h1-11H/b17-11-
InChIKey MAJNBCCLBVIWMV-BOPFTXTBSA-N
Mol Weight 401.32 g/mol
Molecular Formula C21H11F4NO3
Exact Mass 401.067506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64fp5HnKMLA
Name (4Z)-2-(2-Fluorophenyl)-4-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-oxazol-5(4H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.067505867 u
Formula C21H11F4NO3
InChI InChI=1S/C21H11F4NO3/c22-16-7-2-1-6-15(16)19-26-17(20(27)29-19)11-14-8-9-18(28-14)12-4-3-5-13(10-12)21(23,24)25/h1-11H/b17-11-
InChIKey MAJNBCCLBVIWMV-BOPFTXTBSA-N
Molecular Weight 401.317 g/mol
SMILES C1(=N\C(=C/C=2OC(C=3C=C(C(F)(F)F)C=CC3)=CC2)C(O1)=O)C1=C(F)C=CC=C1