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2-Ethoxy-4-[(2-(2-fluorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl benzoate
SpectraBase Compound ID 2tps6cqvOPg
InChI InChI=1S/C25H18FNO5/c1-2-30-22-15-16(12-13-21(22)31-24(28)17-8-4-3-5-9-17)14-20-25(29)32-23(27-20)18-10-6-7-11-19(18)26/h3-15H,2H2,1H3/b20-14+
InChIKey MDUMRNZKZQPHNM-XSFVSMFZSA-N
Mol Weight 431.42 g/mol
Molecular Formula C25H18FNO5
Exact Mass 431.116901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YVSZJlVNld
Name 2-Ethoxy-4-[(2-(2-fluorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.116900842 u
Formula C25H18FNO5
InChI InChI=1S/C25H18FNO5/c1-2-30-22-15-16(12-13-21(22)31-24(28)17-8-4-3-5-9-17)14-20-25(29)32-23(27-20)18-10-6-7-11-19(18)26/h3-15H,2H2,1H3/b20-14+
InChIKey MDUMRNZKZQPHNM-XSFVSMFZSA-N
Molecular Weight 431.419 g/mol
SMILES C1(=N\C(=C\C2=CC(OCC)=C(OC(=O)C3=CC=CC=C3)C=C2)C(O1)=O)C=1C(F)=CC=CC1