| SpectraBase Compound ID | 1lYUeux8yZu |
|---|---|
| InChI | InChI=1S/C11H6F9NO/c12-9(13,14)6-1-5(2-7(3-6)10(15,16)17)4-21-8(22)11(18,19)20/h1-3H,4H2,(H,21,22) |
| InChIKey | ZDZMXBGCBGBSKH-UHFFFAOYSA-N |
| Mol Weight | 339.16 g/mol |
| Molecular Formula | C11H6F9NO |
| Exact Mass | 339.030567 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PCYIyK2XjD |
|---|---|
| Name | 3,5-bis(Trifluoromethyl)benzylamine, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.030567283 u |
| Formula | C11H6F9NO |
| InChI | InChI=1S/C11H6F9NO/c12-9(13,14)6-1-5(2-7(3-6)10(15,16)17)4-21-8(22)11(18,19)20/h1-3H,4H2,(H,21,22) |
| InChIKey | ZDZMXBGCBGBSKH-UHFFFAOYSA-N |
| Molecular Weight | 339.161 g/mol |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)CNC(=O)C(F)(F)F)C(F)(F)F |