John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Ku0TD8CKkJ SpectraBase Spectrum ID=11POBJi2OxJ

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1-(p-CHLOROPHENYL)-3-[3-METHYL-5-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)-4-ISOXAZOLYL]UREA
SpectraBase Compound ID Ku0TD8CKkJ
InChI InChI=1S/C18H13ClF3N3O2/c1-10-15(24-17(26)23-14-8-6-13(19)7-9-14)16(27-25-10)11-2-4-12(5-3-11)18(20,21)22/h2-9H,1H3,(H2,23,24,26)
InChIKey ZRHBDBDWYQHIMK-UHFFFAOYSA-N
Mol Weight 395.77 g/mol
Molecular Formula C18H13ClF3N3O2
Exact Mass 395.064839 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11POBJi2OxJ
Name 1-(p-chlorophenyl)-3-[3-methyl-5-(alpha,alpha,alpha-trifluoro-p-tolyl)-4-isoxazolyl]urea
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Formula C18H13ClF3N3O2
InChI InChI=1S/C18H13ClF3N3O2/c1-10-15(24-17(26)23-14-8-6-13(19)7-9-14)16(27-25-10)11-2-4-12(5-3-11)18(20,21)22/h2-9H,1H3,(H2,23,24,26)
InChIKey ZRHBDBDWYQHIMK-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 61106M
Solvent DMSO-d6
SpectraBase Batch ID CabwimrWp1m