| SpectraBase Compound ID | 6bKlnyUWHW4 |
|---|---|
| InChI | InChI=1S/C14H16F5NO/c1-2-3-4-5-6-7-20-14(21)8-9(15)11(17)13(19)12(18)10(8)16/h2-7H2,1H3,(H,20,21) |
| InChIKey | XYCCBEOYAKFQON-UHFFFAOYSA-N |
| Mol Weight | 309.28 g/mol |
| Molecular Formula | C14H16F5NO |
| Exact Mass | 309.115205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EqXnD3oJASl |
|---|---|
| Name | Pentafluorobenzamide, N-heptyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.115204953 u |
| Formula | C14H16F5NO |
| InChI | InChI=1S/C14H16F5NO/c1-2-3-4-5-6-7-20-14(21)8-9(15)11(17)13(19)12(18)10(8)16/h2-7H2,1H3,(H,20,21) |
| InChIKey | XYCCBEOYAKFQON-UHFFFAOYSA-N |
| Molecular Weight | 309.280 g/mol |
| SMILES | C1(F)=C(C(C(=O)NCCCCCCC)=C(C(=C1F)F)F)F |