| SpectraBase Compound ID | FTsNIn2XLbq |
|---|---|
| InChI | InChI=1S/C11H8F3NO2/c12-11(13,14)10-7(5-9(16)17)6-3-1-2-4-8(6)15-10/h1-4,15H,5H2,(H,16,17) |
| InChIKey | QZRVCUOJFCWPCW-UHFFFAOYSA-N |
| Mol Weight | 243.19 g/mol |
| Molecular Formula | C11H8F3NO2 |
| Exact Mass | 243.050713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28svgYdcMP2 |
|---|---|
| Name | 2-Trifluoromethyl-indole-3-acetic-acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.050712989 u |
| Formula | C11H8F3NO2 |
| InChI | InChI=1S/C11H8F3NO2/c12-11(13,14)10-7(5-9(16)17)6-3-1-2-4-8(6)15-10/h1-4,15H,5H2,(H,16,17) |
| InChIKey | QZRVCUOJFCWPCW-UHFFFAOYSA-N |
| Molecular Weight | 243.185 g/mol |
| SMILES | C=1(NC2=CC=CC=C2C1CC(=O)O)C(F)(F)F |