| SpectraBase Compound ID | GaMK9OEesHR |
|---|---|
| InChI | InChI=1S/C13H12F3NO2/c1-2-19-11(18)7-9-8-5-3-4-6-10(8)17-12(9)13(14,15)16/h3-6,17H,2,7H2,1H3 |
| InChIKey | KQMJDVLIYNQRGT-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 | FZMTp4pT55I |
|---|---|
| Name | 2-tfa-Indole-3-acetic acid, ethyl ester |
| 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/c1-2-19-11(18)7-9-8-5-3-4-6-10(8)17-12(9)13(14,15)16/h3-6,17H,2,7H2,1H3 |
| InChIKey | KQMJDVLIYNQRGT-UHFFFAOYSA-N |
| Molecular Weight | 271.239 g/mol |
| SMILES | C12=C(C=CC=C2)C(CC(OCC)=O)=C(N1)C(F)(F)F |