| SpectraBase Compound ID | fg5ETKLHbc |
|---|---|
| InChI | InChI=1S/C14H12F5NO2/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-2-3-11-10(7-9)4-5-22-11/h2-5,7-8H,6H2,1H3,(H,20,21) |
| InChIKey | VPUHDHNPXLXVHP-UHFFFAOYSA-N |
| Mol Weight | 321.25 g/mol |
| Molecular Formula | C14H12F5NO2 |
| Exact Mass | 321.078819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FI0yLe3bX21 |
|---|---|
| Name | 5-apb pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.078819443 u |
| Formula | C14H12F5NO2 |
| InChI | InChI=1S/C14H12F5NO2/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-2-3-11-10(7-9)4-5-22-11/h2-5,7-8H,6H2,1H3,(H,20,21) |
| InChIKey | VPUHDHNPXLXVHP-UHFFFAOYSA-N |
| Molecular Weight | 321.247 g/mol |
| SMILES | C(C(NC(CC=1C=C2C(=CC1)OC=C2)C)=O)(C(F)(F)F)(F)F |