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(4Z)-4-{4-[(4-fluorobenzyl)oxy]benzylidene}-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one
SpectraBase Compound ID 99sk66xbe5y
InChI InChI=1S/C23H15F2NO3/c24-18-7-1-16(2-8-18)14-28-20-11-3-15(4-12-20)13-21-23(27)29-22(26-21)17-5-9-19(25)10-6-17/h1-13H,14H2/b21-13-
InChIKey YFFVLLXLMCAESR-BKUYFWCQSA-N
Mol Weight 391.37 g/mol
Molecular Formula C23H15F2NO3
Exact Mass 391.102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 484qA0mpaS2
Name (4Z)-4-{4-[(4-Fluorobenzyl)oxy]benzylidene}-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one
Comments Computed using HOSE algorithm
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Exact Mass 391.101999670 u
Formula C23H15F2NO3
InChI InChI=1S/C23H15F2NO3/c24-18-7-1-16(2-8-18)14-28-20-11-3-15(4-12-20)13-21-23(27)29-22(26-21)17-5-9-19(25)10-6-17/h1-13H,14H2/b21-13-
InChIKey YFFVLLXLMCAESR-BKUYFWCQSA-N
Molecular Weight 391.374 g/mol
SMILES C=1C=C(F)C=CC1COC1=CC=C(\C=C\2N=C(OC2=O)C=2C=CC(=CC2)F)C=C1