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5-(4-chlorophenyl)-3-mesityl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)isoxazole
SpectraBase Compound ID DwSdL9YHpif
InChI InChI=1S/C22H22ClN3O/c1-13-11-14(2)18(15(3)12-13)20-19(22-24-9-4-10-25-22)21(27-26-20)16-5-7-17(23)8-6-16/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25)
InChIKey WCKQWRNVXAPROL-UHFFFAOYSA-N
Mol Weight 379.89 g/mol
Molecular Formula C22H22ClN3O
Exact Mass 379.14514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJNSh6HLLQ9
Name 5-(4-chlorophenyl)-3-mesityl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)isoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C22H22ClN3O
InChI InChI=1S/C22H22ClN3O/c1-13-11-14(2)18(15(3)12-13)20-19(22-24-9-4-10-25-22)21(27-26-20)16-5-7-17(23)8-6-16/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25)
InChIKey WCKQWRNVXAPROL-UHFFFAOYSA-N
Molecular Weight 379.891 g/mol
SMILES N1CCCN=C1c1c(noc1-c1ccc(cc1)Cl)-c1c(cc(cc1C)C)C
SPLASH splash10-0400-0009000000-7bd2cef6043fae4f2ce5
Source of Spectrum SK-21-1915-5
Synonyms 5-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole 5-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-(2,4,6-trimethylphenyl)isoxazole
Wiley ID 851920