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4-(4,4-Dimethyl-4,5-dihydro-2-oxazolinyl)-3-phenyl-5-(phenylsulfonylmethyl)isoxazole
SpectraBase Compound ID JNHsgayQHwP
InChI InChI=1S/C21H20N2O4S/c1-21(2)14-26-20(22-21)18-17(13-28(24,25)16-11-7-4-8-12-16)27-23-19(18)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKey YRUQJYFKOUNXOI-UHFFFAOYSA-N
Mol Weight 396.46 g/mol
Molecular Formula C21H20N2O4S
Exact Mass 396.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvHZnZxJlNd
Name 4-(4,4-Dimethyl-4,5-dihydro-2-oxazolinyl)-3-phenyl-5-(phenylsulfonylmethyl)isoxazole
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Formula C21H20N2O4S
InChI InChI=1S/C21H20N2O4S/c1-21(2)14-26-20(22-21)18-17(13-28(24,25)16-11-7-4-8-12-16)27-23-19(18)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKey YRUQJYFKOUNXOI-UHFFFAOYSA-N
Molecular Weight 396.461 g/mol
SMILES c1(noc(c1C=1OCC(N1)(C)C)CS(=O)(=O)c1ccccc1)-c1ccccc1
SPLASH splash10-052b-0049000000-1d49bda9323888f2cd6b
Source of Spectrum SO-0-1077-5
Synonyms 4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-phenyl-5-[(phenylsulfonyl)methyl]isoxazole [4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-phenyl-5-isoxazolyl]methyl phenyl sulfone
Wiley ID 1541861