| SpectraBase Compound ID | 2ovlyZ1jifM |
|---|---|
| InChI | InChI=1S/C16H18F7NO/c1-2-3-10-24(11-9-12-7-5-4-6-8-12)13(25)14(17,18)15(19,20)16(21,22)23/h4-8H,2-3,9-11H2,1H3 |
| InChIKey | BNNVLMBXARFIBD-UHFFFAOYSA-N |
| Mol Weight | 373.31 g/mol |
| Molecular Formula | C16H18F7NO |
| Exact Mass | 373.127661 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H2O3WGb4B9I |
|---|---|
| Name | Heptafluorobutanamide, N-(2-phenylethyl)-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.127661344 u |
| Formula | C16H18F7NO |
| InChI | InChI=1S/C16H18F7NO/c1-2-3-10-24(11-9-12-7-5-4-6-8-12)13(25)14(17,18)15(19,20)16(21,22)23/h4-8H,2-3,9-11H2,1H3 |
| InChIKey | BNNVLMBXARFIBD-UHFFFAOYSA-N |
| Molecular Weight | 373.315 g/mol |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)CCCC |