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(4E)-4-{2-[(4-fluorobenzyl)oxy]benzylidene}-3-phenyl-5(4H)-isoxazolone
SpectraBase Compound ID 6tsxqFwVRsr
InChI InChI=1S/C23H16FNO3/c24-19-12-10-16(11-13-19)15-27-21-9-5-4-8-18(21)14-20-22(25-28-23(20)26)17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
InChIKey CMRWKBTUAYJNPT-XSFVSMFZSA-N
Mol Weight 373.38 g/mol
Molecular Formula C23H16FNO3
Exact Mass 373.111422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gkyQbpN9l7
Name (4E)-4-{2-[(4-Fluorobenzyl)oxy]benzylidene}-3-phenyl-5(4H)-isoxazolone
Comments Computed using HOSE algorithm
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Exact Mass 373.111421539 u
Formula C23H16FNO3
InChI InChI=1S/C23H16FNO3/c24-19-12-10-16(11-13-19)15-27-21-9-5-4-8-18(21)14-20-22(25-28-23(20)26)17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
InChIKey CMRWKBTUAYJNPT-XSFVSMFZSA-N
Molecular Weight 373.383 g/mol
SMILES C=1(\C(C(ON1)=O)=C/C=1C(OCC=2C=CC(=CC2)F)=CC=CC1)C=1C=CC=CC1