| SpectraBase Compound ID | D3ap9vASANx |
|---|---|
| InChI | InChI=1S/C12H10F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,21) |
| InChIKey | GLZLEBAUVDLNEX-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 | Fnnu7TF9fnR |
|---|---|
| Name | Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)- |
| 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/c13-10(14,11(15,16)12(17,18)19)9(21)20-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,21) |
| InChIKey | GLZLEBAUVDLNEX-UHFFFAOYSA-N |
| Molecular Weight | 317.207 g/mol |
| SMILES | C(C(C(NCCC1=CC=CC=C1)=O)(F)F)(C(F)(F)F)(F)F |