![1-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-3-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL]UREA](/api/spectrum/CpumHYiX0cl/structure.png?h=300&w=458 "1-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-3-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL]UREA")
| SpectraBase Compound ID | 4aLYeJMbJUh |
|---|---|
| InChI | InChI=1S/C14H9F9N4O/c1-27-5-9(10(26-27)14(21,22)23)25-11(28)24-8-3-6(12(15,16)17)2-7(4-8)13(18,19)20/h2-5H,1H3,(H2,24,25,28) |
| InChIKey | VJJRPGTUZPABMR-UHFFFAOYSA-N |
| Mol Weight | 420.24 g/mol |
| Molecular Formula | C14H9F9N4O |
| Exact Mass | 420.063264 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpumHYiX0cl |
|---|---|
| Name | 1-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H9F9N4O |
| InChI | InChI=1S/C14H9F9N4O/c1-27-5-9(10(26-27)14(21,22)23)25-11(28)24-8-3-6(12(15,16)17)2-7(4-8)13(18,19)20/h2-5H,1H3,(H2,24,25,28) |
| InChIKey | VJJRPGTUZPABMR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59798M |
| Solvent | DMSO-d6 |