![1-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(alpha,alpha,alpha-trifluoro-p-tolyl)urea](/api/spectrum/4Y2w0x9le3P/structure.png?h=300&w=458 "1-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(alpha,alpha,alpha-trifluoro-p-tolyl)urea")
| SpectraBase Compound ID | 2tpfbHXKn6B |
|---|---|
| InChI | InChI=1S/C16H13ClF3N5O/c1-8-12-13(17)11(7-21-14(12)25(2)24-8)23-15(26)22-10-5-3-9(4-6-10)16(18,19)20/h3-7H,1-2H3,(H2,22,23,26) |
| InChIKey | FLUQXYLOKASBNN-UHFFFAOYSA-N |
| Mol Weight | 383.76 g/mol |
| Molecular Formula | C16H13ClF3N5O |
| Exact Mass | 383.076072 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Y2w0x9le3P |
|---|---|
| Name | 1-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(alpha,alpha,alpha-trifluoro-p-tolyl)urea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13ClF3N5O |
| InChI | InChI=1S/C16H13ClF3N5O/c1-8-12-13(17)11(7-21-14(12)25(2)24-8)23-15(26)22-10-5-3-9(4-6-10)16(18,19)20/h3-7H,1-2H3,(H2,22,23,26) |
| InChIKey | FLUQXYLOKASBNN-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58629M |
| Solvent | Polysol |