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4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenyl-5-(phenylsulfinylmethyl)-1,2-oxazole
SpectraBase Compound ID 5Z7ju51uut7
InChI InChI=1S/C21H20N2O3S/c1-21(2)14-25-20(22-21)18-17(13-27(24)16-11-7-4-8-12-16)26-23-19(18)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKey YJIQVCOGDCQHOW-UHFFFAOYSA-N
Mol Weight 380.46 g/mol
Molecular Formula C21H20N2O3S
Exact Mass 380.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQcTgMIafyh
Name 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenyl-5-(phenylsulfinylmethyl)-1,2-oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O3S
InChI InChI=1S/C21H20N2O3S/c1-21(2)14-25-20(22-21)18-17(13-27(24)16-11-7-4-8-12-16)26-23-19(18)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKey YJIQVCOGDCQHOW-UHFFFAOYSA-N
Molecular Weight 380.462 g/mol
SMILES c1(c(onc1-c1ccccc1)CS(=O)c1ccccc1)C1=NC(C)(C)CO1
SPLASH splash10-0a4i-0093000000-5cf741abf1e7db142ee2
Source of Spectrum SO-0-1077-4
Synonyms 5-(benzenesulfinylmethyl)-4-(4,4-dimethyl-2-oxazolin-2-yl)-3-phenyl-isoxazole 5-(benzenesulfinylmethyl)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenyl-1,2-oxazole 5-(benzenesulfinylmethyl)-4-(4,4-dimethyl-5H-oxazol-2-yl)-3-phenyl-isoxazole
Wiley ID 1541862