| SpectraBase Compound ID | CxA6Vs8G4kQ |
|---|---|
| InChI | InChI=1S/C18H21F6NO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)25(15(26)17(19,20)21)16(27)18(22,23)24/h9-12H,2-8H2,1H3 |
| InChIKey | DLJBSTDYPQYPHG-UHFFFAOYSA-N |
| Mol Weight | 397.36 g/mol |
| Molecular Formula | C18H21F6NO2 |
| Exact Mass | 397.147648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UksyVUdbSU |
|---|---|
| Name | 4-Octylaniline, N,N-di(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.147647896 u |
| Formula | C18H21F6NO2 |
| InChI | InChI=1S/C18H21F6NO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)25(15(26)17(19,20)21)16(27)18(22,23)24/h9-12H,2-8H2,1H3 |
| InChIKey | DLJBSTDYPQYPHG-UHFFFAOYSA-N |
| Molecular Weight | 397.361 g/mol |
| SMILES | C1=C(C=CC(=C1)N(C(=O)C(F)(F)F)C(C(F)(F)F)=O)CCCCCCCC |