![1-[3-(o-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]-3-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)UREA](/api/spectrum/8fiEyt00PPs/structure.png?h=300&w=458 "1-[3-(o-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]-3-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)UREA")
| SpectraBase Compound ID | 6yXsZsrLLUV |
|---|---|
| InChI | InChI=1S/C19H12ClF6N3O2/c1-9-15(16(29-31-9)13-4-2-3-5-14(13)20)28-17(30)27-12-7-10(18(21,22)23)6-11(8-12)19(24,25)26/h2-8H,1H3,(H2,27,28,30) |
| InChIKey | YSMZIDLPLWEZKW-UHFFFAOYSA-N |
| Mol Weight | 463.77 g/mol |
| Molecular Formula | C19H12ClF6N3O2 |
| Exact Mass | 463.052223 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fiEyt00PPs |
|---|---|
| Name | 1-[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]-3-(a,a,a,a',a',a'-hexafluoro-3,5-xylyl)urea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H12ClF6N3O2 |
| InChI | InChI=1S/C19H12ClF6N3O2/c1-9-15(16(29-31-9)13-4-2-3-5-14(13)20)28-17(30)27-12-7-10(18(21,22)23)6-11(8-12)19(24,25)26/h2-8H,1H3,(H2,27,28,30) |
| InChIKey | YSMZIDLPLWEZKW-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 29118M |
| Solvent | Polysol |