![2-[3,5-Dimethoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine](/api/spectrum/7f0OU7IltNH/structure.png?h=300&w=458 "2-[3,5-Dimethoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine")
| SpectraBase Compound ID | BTqvVQkKFXU |
|---|---|
| InChI | InChI=1S/C12H16F3NO3/c1-17-9-5-8(3-4-16)6-10(18-2)11(9)19-7-12(13,14)15/h5-6H,3-4,7,16H2,1-2H3 |
| InChIKey | LMULYKOEWFMASK-UHFFFAOYSA-N |
| Mol Weight | 279.26 g/mol |
| Molecular Formula | C12H16F3NO3 |
| Exact Mass | 279.108228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7f0OU7IltNH |
|---|---|
| Name | tfe |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.108227865 u |
| Formula | C12H16F3NO3 |
| InChI | InChI=1S/C12H16F3NO3/c1-17-9-5-8(3-4-16)6-10(18-2)11(9)19-7-12(13,14)15/h5-6H,3-4,7,16H2,1-2H3 |
| InChIKey | LMULYKOEWFMASK-UHFFFAOYSA-N |
| Molecular Weight | 279.259 g/mol |
| SMILES | C=1(C(=CC(=CC1OC)CCN)OC)OCC(F)(F)F |