| SpectraBase Compound ID | Hg8eYIOo5ne |
|---|---|
| InChI | InChI=1S/C14H14F7NO/c1-2-3-6-9-7-4-5-8-10(9)22-11(23)12(15,16)13(17,18)14(19,20)21/h4-5,7-8H,2-3,6H2,1H3,(H,22,23) |
| InChIKey | ODVWJIIQWBJBHJ-UHFFFAOYSA-N |
| Mol Weight | 345.26 g/mol |
| Molecular Formula | C14H14F7NO |
| Exact Mass | 345.096361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9syeDAfCfPy |
|---|---|
| Name | 2-Butylaniline, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.096361215 u |
| Formula | C14H14F7NO |
| InChI | InChI=1S/C14H14F7NO/c1-2-3-6-9-7-4-5-8-10(9)22-11(23)12(15,16)13(17,18)14(19,20)21/h4-5,7-8H,2-3,6H2,1H3,(H,22,23) |
| InChIKey | ODVWJIIQWBJBHJ-UHFFFAOYSA-N |
| Molecular Weight | 345.261 g/mol |
| SMILES | C(CCC)C1=C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C1 |