| SpectraBase Compound ID | FKyN7CcVaAX |
|---|---|
| InChI | InChI=1S/C15H19F3O2/c1-2-3-4-5-6-8-12-9-7-10-13(11-12)20-14(19)15(16,17)18/h7,9-11H,2-6,8H2,1H3 |
| InChIKey | QTOQQBQGCZKYNM-UHFFFAOYSA-N |
| Mol Weight | 288.31 g/mol |
| Molecular Formula | C15H19F3O2 |
| Exact Mass | 288.133714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7U58Sije9Ox |
|---|---|
| Name | 3-N-Heptylphenol, trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.133714339 u |
| Formula | C15H19F3O2 |
| InChI | InChI=1S/C15H19F3O2/c1-2-3-4-5-6-8-12-9-7-10-13(11-12)20-14(19)15(16,17)18/h7,9-11H,2-6,8H2,1H3 |
| InChIKey | QTOQQBQGCZKYNM-UHFFFAOYSA-N |
| Molecular Weight | 288.310 g/mol |
| SMILES | C1=C(C=CC=C1OC(C(F)(F)F)=O)CCCCCCC |