| SpectraBase Compound ID | 1gk3FXUJOyb |
|---|---|
| InChI | InChI=1S/C12H13F4NO2/c13-9-3-5-10(6-4-9)17-7-1-2-8-19-11(18)12(14,15)16/h3-6,17H,1-2,7-8H2 |
| InChIKey | XAQSCOMFGHQAFU-UHFFFAOYSA-N |
| Mol Weight | 279.23 g/mol |
| Molecular Formula | C12H13F4NO2 |
| Exact Mass | 279.088241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D62oAUnPdWU |
|---|---|
| Name | 4-(4-Fluoroanilino)-1-butanol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.088241313 u |
| Formula | C12H13F4NO2 |
| InChI | InChI=1S/C12H13F4NO2/c13-9-3-5-10(6-4-9)17-7-1-2-8-19-11(18)12(14,15)16/h3-6,17H,1-2,7-8H2 |
| InChIKey | XAQSCOMFGHQAFU-UHFFFAOYSA-N |
| Molecular Weight | 279.235 g/mol |
| SMILES | C1(F)=CC=C(C=C1)NCCCCOC(C(F)(F)F)=O |