| SpectraBase Compound ID | 3VX0geURQP2 |
|---|---|
| InChI | InChI=1S/C14H14F7NO/c1-2-3-9-22(10-7-5-4-6-8-10)11(23)12(15,16)13(17,18)14(19,20)21/h4-8H,2-3,9H2,1H3 |
| InChIKey | FZKYYIBCNYFIBV-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 | 4xlSqrOG8HI |
|---|---|
| Name | N-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/c1-2-3-9-22(10-7-5-4-6-8-10)11(23)12(15,16)13(17,18)14(19,20)21/h4-8H,2-3,9H2,1H3 |
| InChIKey | FZKYYIBCNYFIBV-UHFFFAOYSA-N |
| Molecular Weight | 345.261 g/mol |
| SMILES | CCCCN(C1=CC=CC=C1)C(=O)C(C(F)(C(F)(F)F)F)(F)F |