| SpectraBase Compound ID | Esq4EDYSyoK |
|---|---|
| InChI | InChI=1S/C12H10F7NO/c1-7(8-5-3-2-4-6-8)20-9(21)10(13,14)11(15,16)12(17,18)19/h2-7H,1H3,(H,20,21) |
| InChIKey | XVGDQPCIRYTQHC-UHFFFAOYSA-N |
| Mol Weight | 317.21 g/mol |
| Molecular Formula | C12H10F7NO |
| Exact Mass | 317.065061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bCOSvuovkx |
|---|---|
| Name | Heptafluorobutyramide, N-(1-phenyl)ethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.065061086 u |
| Formula | C12H10F7NO |
| InChI | InChI=1S/C12H10F7NO/c1-7(8-5-3-2-4-6-8)20-9(21)10(13,14)11(15,16)12(17,18)19/h2-7H,1H3,(H,20,21) |
| InChIKey | XVGDQPCIRYTQHC-UHFFFAOYSA-N |
| Molecular Weight | 317.207 g/mol |
| SMILES | C1(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C)=CC=CC=C1 |