| SpectraBase Compound ID | 32OMCIA1Gsk |
|---|---|
| InChI | InChI=1S/C14H8F5NO/c1-6-2-4-7(5-3-6)14(21)20-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3,(H,20,21) |
| InChIKey | MTMLFLYYHMZUEF-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 | 82gTHSwLeVu |
|---|---|
| Name | 4-Methyl-N-pentafluorophenylbenzamide |
| 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)14(21)20-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3,(H,20,21) |
| InChIKey | MTMLFLYYHMZUEF-UHFFFAOYSA-N |
| Molecular Weight | 301.216 g/mol |
| SMILES | C(NC1=C(C(=C(F)C(=C1F)F)F)F)(=O)C1=CC=C(C)C=C1 |