| SpectraBase Compound ID | 8QTJilvWvY2 |
|---|---|
| InChI | InChI=1S/C17H14F3NO/c18-17(19,20)16(22)14-11-21(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11,16,22H,10H2 |
| InChIKey | NXMQROKHGGECGG-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 | 8GcYatvuZB9 |
|---|---|
| Name | 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanol |
| 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/c18-17(19,20)16(22)14-11-21(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11,16,22H,10H2 |
| InChIKey | NXMQROKHGGECGG-UHFFFAOYSA-N |
| Molecular Weight | 305.300 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C(C(F)(F)F)O)=CN2CC1=CC=CC=C1 |