| SpectraBase Compound ID | CLE7QUA0JKx |
|---|---|
| InChI | InChI=1S/C14H14F7NO/c1-2-3-4-9-5-7-10(8-6-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h5-8H,2-4H2,1H3,(H,22,23) |
| InChIKey | OYBNDDMDAIMMNA-UHFFFAOYSA-N |
| Mol Weight | 345.26 g/mol |
| Molecular Formula | C14H14F7NO |
| Exact Mass | 345.096361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjfMzfWdGQf |
|---|---|
| Name | 4-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/c1-2-3-4-9-5-7-10(8-6-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h5-8H,2-4H2,1H3,(H,22,23) |
| InChIKey | OYBNDDMDAIMMNA-UHFFFAOYSA-N |
| Molecular Weight | 345.261 g/mol |
| SMILES | C(CCC)C1=CC=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |