| SpectraBase Compound ID | 6FCNXYAb2D7 |
|---|---|
| InChI | InChI=1S/C20H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)25-19(24)20(21,22)23/h12-13,15-16H,2-11,14H2,1H3 |
| InChIKey | DLBVBWDFAOVXJK-UHFFFAOYSA-N |
| Mol Weight | 358.45 g/mol |
| Molecular Formula | C20H29F3O2 |
| Exact Mass | 358.211965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EUpYqF4aM2M |
|---|---|
| Name | 2-N-Dodecylphenol, trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.211964661 u |
| Formula | C20H29F3O2 |
| InChI | InChI=1S/C20H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)25-19(24)20(21,22)23/h12-13,15-16H,2-11,14H2,1H3 |
| InChIKey | DLBVBWDFAOVXJK-UHFFFAOYSA-N |
| Molecular Weight | 358.445 g/mol |
| SMILES | C1=C(C(=CC=C1)OC(C(F)(F)F)=O)CCCCCCCCCCCC |