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4-(2-imidazolin-2-yl)-3-mesityl-5-phenyl-isoxazole

View entire compound with spectra: 1 MS (GC)

4-(2-imidazolin-2-yl)-3-mesityl-5-phenyl-isoxazole
SpectraBase Compound ID C7A2V0amwqS
InChI InChI=1S/C21H21N3O/c1-13-11-14(2)17(15(3)12-13)19-18(21-22-9-10-23-21)20(25-24-19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,22,23)
InChIKey BXBATVCIEYUKAI-UHFFFAOYSA-N
Mol Weight 331.42 g/mol
Molecular Formula C21H21N3O
Exact Mass 331.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jIgqiwD9OZ
Name 4-(2-imidazolin-2-yl)-3-mesityl-5-phenyl-isoxazole
Alternate Name(s) 4-(4,5-dihydro-1H-imidazol-2-yl)-3-mesityl-5-phenylisoxazole 4-(4,5-dihydro-1H-imidazol-2-yl)-5-phenyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole 4-(4,5-dihydro-1H-imidazol-2-yl)-5-phenyl-3-(2,4,6-trimethylphenyl)isoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C21H21N3O
InChI InChI=1S/C21H21N3O/c1-13-11-14(2)17(15(3)12-13)19-18(21-22-9-10-23-21)20(25-24-19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,22,23)
InChIKey BXBATVCIEYUKAI-UHFFFAOYSA-N
Molecular Weight 331.419 g/mol
SMILES N1CCN=C1c1c(noc1-c1ccccc1)-c1c(cc(cc1C)C)C
SPLASH splash10-014i-0009000000-40173b032f3bc568723f
Source of Spectrum SK-21-1912-4
Wiley ID 851927