| SpectraBase Compound ID | DhhzuX7z9CR |
|---|---|
| InChI | InChI=1S/C16H12F3N/c1-20-10-14(13-4-2-3-5-15(13)20)11-6-8-12(9-7-11)16(17,18)19/h2-10H,1H3 |
| InChIKey | PYMMIKUCCDXEDJ-UHFFFAOYSA-N |
| Mol Weight | 275.27 g/mol |
| Molecular Formula | C16H12F3N |
| Exact Mass | 275.092184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIvKNbEVVpo |
|---|---|
| Name | 1-Methyl-3-(4-(trifluoromethyl)phenyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.092183879 u |
| Formula | C16H12F3N |
| InChI | InChI=1S/C16H12F3N/c1-20-10-14(13-4-2-3-5-15(13)20)11-6-8-12(9-7-11)16(17,18)19/h2-10H,1H3 |
| InChIKey | PYMMIKUCCDXEDJ-UHFFFAOYSA-N |
| Molecular Weight | 275.274 g/mol |
| SMILES | C=1N(C=2C=CC=CC2C1C=1C=CC(=CC1)C(F)(F)F)C |