| SpectraBase Compound ID | ACGFLlTkdHg |
|---|---|
| InChI | InChI=1S/C17H14F3NO/c1-21-14-6-4-3-5-13(14)15(17(18,19)20)16(21)11-7-9-12(22-2)10-8-11/h3-10H,1-2H3 |
| InChIKey | URTWXMGOPPBULZ-UHFFFAOYSA-N |
| Mol Weight | 305.3 g/mol |
| Molecular Formula | C17H14F3NO |
| Exact Mass | 305.102749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GjSjz5WXwU |
|---|---|
| Name | 1-Methyl-2-(4-methoxylphenyl)-3-(trifluoromethyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.102748563 u |
| Formula | C17H14F3NO |
| InChI | InChI=1S/C17H14F3NO/c1-21-14-6-4-3-5-13(14)15(17(18,19)20)16(21)11-7-9-12(22-2)10-8-11/h3-10H,1-2H3 |
| InChIKey | URTWXMGOPPBULZ-UHFFFAOYSA-N |
| Molecular Weight | 305.300 g/mol |
| SMILES | C1=CC=C2C(=C1)C(=C(C1=CC=C(C=C1)OC)N2C)C(F)(F)F |