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3-(2-Oxo-2H-1]benzopyran-4'-yl)-4,5-diphenylisoxazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(2-Oxo-2H-1]benzopyran-4'-yl)-4,5-diphenylisoxazole
SpectraBase Compound ID K5kXatSqLyJ
InChI InChI=1S/C24H15NO3/c26-21-15-19(18-13-7-8-14-20(18)27-21)23-22(16-9-3-1-4-10-16)24(28-25-23)17-11-5-2-6-12-17/h1-15H
InChIKey UBAIKJYFNJLTEZ-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C24H15NO3
Exact Mass 365.105193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46kuF5n2MIn
Name 3-(2-oxo-2H-1]Benzopyran-4'-yl)-4,5-diphenylisoxazole
Comments Computed using HOSE algorithm
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Exact Mass 365.105193344 u
Formula C24H15NO3
InChI InChI=1S/C24H15NO3/c26-21-15-19(18-13-7-8-14-20(18)27-21)23-22(16-9-3-1-4-10-16)24(28-25-23)17-11-5-2-6-12-17/h1-15H
InChIKey UBAIKJYFNJLTEZ-UHFFFAOYSA-N
Molecular Weight 365.388 g/mol
SMILES C=1(C=2C3=C(C=CC=C3)OC(C2)=O)C(=C(C=2C=CC=CC2)ON1)C1=CC=CC=C1