| SpectraBase Compound ID | FP1gVtPSc1y |
|---|---|
| InChI | InChI=1S/C16H12F5NO/c17-15(18,16(19,20)21)14(23)22-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,22,23) |
| InChIKey | KJBDIGYBHBIOOB-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 | 9T9JMzm2Yl9 |
|---|---|
| Name | 2-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)22-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,22,23) |
| InChIKey | KJBDIGYBHBIOOB-UHFFFAOYSA-N |
| Molecular Weight | 329.270 g/mol |
| SMILES | C1(NC(C(C(F)(F)F)(F)F)=O)=C(C=CC=C1)CC1=CC=CC=C1 |