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Acetophenone, 2-[5-(p-methoxyphenyl)-3-p-tolyl-2-isoxazolin-5-yl]-4'-methyl-
SpectraBase Compound ID I6wGOYlvae3
InChI InChI=1S/C26H25NO3/c1-18-4-8-20(9-5-18)24-16-26(30-27-24,22-12-14-23(29-3)15-13-22)17-25(28)21-10-6-19(2)7-11-21/h4-15H,16-17H2,1-3H3
InChIKey IBFPATKLGQHULZ-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C26H25NO3
Exact Mass 399.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ITTtMx7u3Y
Name Acetophenone, 2-[5-(p-methoxyphenyl)-3-p-tolyl-2-isoxazolin-5-yl]-4'-methyl-
CAS Registry Number 21326-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO3
InChI InChI=1S/C26H25NO3/c1-18-4-8-20(9-5-18)24-16-26(30-27-24,22-12-14-23(29-3)15-13-22)17-25(28)21-10-6-19(2)7-11-21/h4-15H,16-17H2,1-3H3
InChIKey IBFPATKLGQHULZ-UHFFFAOYSA-N
Molecular Weight 399.490 g/mol
SMILES Cc1ccc(cc1)C=1CC(CC(c2ccc(C)cc2)=O)(c2ccc(cc2)OC)ON1
SPLASH splash10-014i-3970000000-c3ceafcc492f0c7af688
Source of Spectrum O-3-1044-4
Synonyms 2-[5-(4-Methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-5-isoxazolyl]-1-(4-methylphenyl)ethanone 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4H-1,2-oxazol-5-yl]-1-(4-methylphenyl)ethanone 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4H-isoxazol-5-yl]-1-(4-methylphenyl)ethanone 2-[5-(4-methoxyphenyl)-3-(p-tolyl)-2-isoxazolin-5-yl]-1-(p-tolyl)ethanone 2-[5-(4-methoxyphenyl)-3-(p-tolyl)-4H-isoxazol-5-yl]-1-(p-tolyl)ethanone
Wiley ID 1369101