| SpectraBase Compound ID | I6kNuQAtDRp |
|---|---|
| InChI | InChI=1S/C13H12F3NO2/c1-8-9(6-7-19-12(18)13(14,15)16)10-4-2-3-5-11(10)17-8/h2-5,17H,6-7H2,1H3 |
| InChIKey | ROCVAPJPUBZLHI-UHFFFAOYSA-N |
| Mol Weight | 271.24 g/mol |
| Molecular Formula | C13H12F3NO2 |
| Exact Mass | 271.082013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JULcVWpvZIt |
|---|---|
| Name | 2-Methyl-1H-indole-3-ethanol tfa (o) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.082013117 u |
| Formula | C13H12F3NO2 |
| InChI | InChI=1S/C13H12F3NO2/c1-8-9(6-7-19-12(18)13(14,15)16)10-4-2-3-5-11(10)17-8/h2-5,17H,6-7H2,1H3 |
| InChIKey | ROCVAPJPUBZLHI-UHFFFAOYSA-N |
| Molecular Weight | 271.239 g/mol |
| SMILES | C=12C(NC(=C2CCOC(C(F)(F)F)=O)C)=CC=CC1 |