| SpectraBase Compound ID | 7zFL1oJY46o |
|---|---|
| InChI | InChI=1S/C17H14F3N/c1-11-7-9-12(10-8-11)16-15(17(18,19)20)13-5-3-4-6-14(13)21(16)2/h3-10H,1-2H3 |
| InChIKey | KZOPVUTYCVNOBK-UHFFFAOYSA-N |
| Mol Weight | 289.3 g/mol |
| Molecular Formula | C17H14F3N |
| Exact Mass | 289.107834 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B09030FoFr4 |
|---|---|
| Name | 1-Methyl-2-(p-tolyl)-3-(trifluoromethyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.107833944 u |
| Formula | C17H14F3N |
| InChI | InChI=1S/C17H14F3N/c1-11-7-9-12(10-8-11)16-15(17(18,19)20)13-5-3-4-6-14(13)21(16)2/h3-10H,1-2H3 |
| InChIKey | KZOPVUTYCVNOBK-UHFFFAOYSA-N |
| Molecular Weight | 289.301 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C(F)(F)F)=C(N2C)C1=CC=C(C=C1)C |