| SpectraBase Compound ID | AFO3qUrgMjV |
|---|---|
| InChI | InChI=1S/C14H8F5NO/c1-6-2-4-7(5-3-6)20-14(21)8-9(15)11(17)13(19)12(18)10(8)16/h2-5H,1H3,(H,20,21) |
| InChIKey | DUAQNSQHMMRTGL-UHFFFAOYSA-N |
| Mol Weight | 301.22 g/mol |
| Molecular Formula | C14H8F5NO |
| Exact Mass | 301.052605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDNuSD6lGAd |
|---|---|
| Name | 2,3,4,5,6-Pentafluoro-N-(4-methylphenyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.052604696 u |
| Formula | C14H8F5NO |
| InChI | InChI=1S/C14H8F5NO/c1-6-2-4-7(5-3-6)20-14(21)8-9(15)11(17)13(19)12(18)10(8)16/h2-5H,1H3,(H,20,21) |
| InChIKey | DUAQNSQHMMRTGL-UHFFFAOYSA-N |
| Molecular Weight | 301.216 g/mol |
| SMILES | C1(C(NC=2C=CC(=CC2)C)=O)=C(C(F)=C(C(=C1F)F)F)F |