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1-{[5-(p-CHLOROPHENYL)-3-(METHYLTHIO)-4-ISOXAZOLYL]CARBONYL}-3-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)UREA

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1-{[5-(p-CHLOROPHENYL)-3-(METHYLTHIO)-4-ISOXAZOLYL]CARBONYL}-3-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)UREA
SpectraBase Compound ID J70uLUEbC3b
InChI InChI=1S/C19H13ClF3N3O3S/c1-30-17-14(15(29-26-17)10-6-8-11(20)9-7-10)16(27)25-18(28)24-13-5-3-2-4-12(13)19(21,22)23/h2-9H,1H3,(H2,24,25,27,28)
InChIKey CMJYOFGAQMPOTO-UHFFFAOYSA-N
Mol Weight 455.84 g/mol
Molecular Formula C19H13ClF3N3O3S
Exact Mass 455.031825 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTPmX5vUn5z
Name 1-{[5-(p-chlorophenyl)-3-(methylthio)-4-isoxazolyl]carbonyl}-3-(alpha,alpha,alpha-trifluoro-o-tolyl)urea
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Formula C19H13ClF3N3O3S
InChI InChI=1S/C19H13ClF3N3O3S/c1-30-17-14(15(29-26-17)10-6-8-11(20)9-7-10)16(27)25-18(28)24-13-5-3-2-4-12(13)19(21,22)23/h2-9H,1H3,(H2,24,25,27,28)
InChIKey CMJYOFGAQMPOTO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56432M
Solvent Polysol