| SpectraBase Compound ID | CSNxPAKBV6t |
|---|---|
| InChI | InChI=1S/C16H11BrF3N/c1-21-13-5-3-2-4-12(13)14(16(18,19)20)15(21)10-6-8-11(17)9-7-10/h2-9H,1H3 |
| InChIKey | GOZDOYIVDQZKJC-UHFFFAOYSA-N |
| Mol Weight | 354.17 g/mol |
| Molecular Formula | C16H11BrF3N |
| Exact Mass | 353.002697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKOvCqFpKov |
|---|---|
| Name | 1-Methyl-2-(4-bromophenyl)-3-(trifluoromethyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.002696847 u |
| Formula | C16H11BrF3N |
| InChI | InChI=1S/C16H11BrF3N/c1-21-13-5-3-2-4-12(13)14(16(18,19)20)15(21)10-6-8-11(17)9-7-10/h2-9H,1H3 |
| InChIKey | GOZDOYIVDQZKJC-UHFFFAOYSA-N |
| Molecular Weight | 354.170 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C(F)(F)F)=C(N2C)C1=CC=C(C=C1)Br |