| SpectraBase Compound ID | UQHfJYtiYU |
|---|---|
| InChI | InChI=1S/C16H12F5NO/c17-15(18,16(19,20)21)14(23)22(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | CBJDATHVRYIIND-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 | 9KKu9PkL4eh |
|---|---|
| Name | N-Benzylaniline, N-pentafluoropropionyl- |
| 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(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | CBJDATHVRYIIND-UHFFFAOYSA-N |
| Molecular Weight | 329.270 g/mol |
| SMILES | C1=CC=C(C=C1)N(C(=O)C(C(F)(F)F)(F)F)CC1=CC=CC=C1 |