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(4-Chlorophenyl)(3,5-diphenylisoxazol-4-yl)methanone

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

(4-Chlorophenyl)(3,5-diphenylisoxazol-4-yl)methanone
SpectraBase Compound ID CD0iO7AgfLE
InChI InChI=1S/C22H14ClNO2/c23-18-13-11-16(12-14-18)21(25)19-20(15-7-3-1-4-8-15)24-26-22(19)17-9-5-2-6-10-17/h1-14H
InChIKey XPBBHWZJIBNKSS-UHFFFAOYSA-N
Mol Weight 359.81 g/mol
Molecular Formula C22H14ClNO2
Exact Mass 359.071306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWUqCx3CkQu
Name (4-Chlorophenyl)(3,5-diphenylisoxazol-4-yl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.071306393 u
Formula C22H14ClNO2
InChI InChI=1S/C22H14ClNO2/c23-18-13-11-16(12-14-18)21(25)19-20(15-7-3-1-4-8-15)24-26-22(19)17-9-5-2-6-10-17/h1-14H
InChIKey XPBBHWZJIBNKSS-UHFFFAOYSA-N
Molecular Weight 359.812 g/mol
SMILES C=1(ON=C(C1C(C1=CC=C(C=C1)Cl)=O)C1=CC=CC=C1)C=1C=CC=CC1