| SpectraBase Compound ID | 8lQMLXQ7Jur |
|---|---|
| InChI | InChI=1S/C16H12F5NO/c17-15(18,16(19,20)21)14(23)22-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,22,23) |
| InChIKey | SSFMEPXAGFSZQZ-UHFFFAOYSA-N |
| Mol Weight | 329.27 g/mol |
| Molecular Formula | C16H12F5NO |
| Exact Mass | 329.083905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDR2YdhnO0S |
|---|---|
| Name | N-Benzhydryl-2,2,3,3,3-pentafluoropropanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.083904824 u |
| Formula | C16H12F5NO |
| InChI | InChI=1S/C16H12F5NO/c17-15(18,16(19,20)21)14(23)22-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,22,23) |
| InChIKey | SSFMEPXAGFSZQZ-UHFFFAOYSA-N |
| Molecular Weight | 329.270 g/mol |
| SMILES | C1=CC(C(NC(C(C(F)(F)F)(F)F)=O)C2=CC=CC=C2)=CC=C1 |