| SpectraBase Compound ID | 2a473aIR5gT |
|---|---|
| InChI | InChI=1S/C16H20F3N/c1-3-4-5-6-11-14-15(16(17,18)19)12-9-7-8-10-13(12)20(14)2/h7-10H,3-6,11H2,1-2H3 |
| InChIKey | SVMSPCPXSUICAC-UHFFFAOYSA-N |
| Mol Weight | 283.34 g/mol |
| Molecular Formula | C16H20F3N |
| Exact Mass | 283.154784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MA3IDTdwop |
|---|---|
| Name | 1-Methyl-2-hexyl-3-(trifluoromethyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.154784137 u |
| Formula | C16H20F3N |
| InChI | InChI=1S/C16H20F3N/c1-3-4-5-6-11-14-15(16(17,18)19)12-9-7-8-10-13(12)20(14)2/h7-10H,3-6,11H2,1-2H3 |
| InChIKey | SVMSPCPXSUICAC-UHFFFAOYSA-N |
| Molecular Weight | 283.338 g/mol |
| SMILES | C1(CCCCCC)=C(C2=CC=CC=C2N1C)C(F)(F)F |