![N-{3-cyano-4,5-dimethyl-1-[(3-pyridyl)methyl]pyrrol-2-yl}-alpha,alpha,alpha-trifluoro-p-toluamide](/api/spectrum/FOSfLAJlhyC/structure.png?h=300&w=458 "N-{3-cyano-4,5-dimethyl-1-[(3-pyridyl)methyl]pyrrol-2-yl}-alpha,alpha,alpha-trifluoro-p-toluamide")
| SpectraBase Compound ID | 9llPHXVeW87 |
|---|---|
| InChI | InChI=1S/C21H17F3N4O/c1-13-14(2)28(12-15-4-3-9-26-11-15)19(18(13)10-25)27-20(29)16-5-7-17(8-6-16)21(22,23)24/h3-9,11H,12H2,1-2H3,(H,27,29) |
| InChIKey | HJWPTIUXBWDNSR-UHFFFAOYSA-N |
| Mol Weight | 398.39 g/mol |
| Molecular Formula | C21H17F3N4O |
| Exact Mass | 398.135446 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOSfLAJlhyC |
|---|---|
| Name | N-{3-cyano-4,5-dimethyl-1-[(3-pyridyl)methyl]pyrrol-2-yl}-alpha,alpha,alpha-trifluoro-p-toluamide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H17F3N4O |
| InChI | InChI=1S/C21H17F3N4O/c1-13-14(2)28(12-15-4-3-9-26-11-15)19(18(13)10-25)27-20(29)16-5-7-17(8-6-16)21(22,23)24/h3-9,11H,12H2,1-2H3,(H,27,29) |
| InChIKey | HJWPTIUXBWDNSR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55859M |
| Solvent | Polysol |