| SpectraBase Compound ID | EMwEOeRlsRK |
|---|---|
| InChI | InChI=1S/C16H21F3O2/c1-5-10(3)12-8-7-9-13(11(4)6-2)14(12)21-15(20)16(17,18)19/h7-11H,5-6H2,1-4H3 |
| InChIKey | WTZMRDVJWKULOP-UHFFFAOYSA-N |
| Mol Weight | 302.34 g/mol |
| Molecular Formula | C16H21F3O2 |
| Exact Mass | 302.149364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dz9gMCSJe1f |
|---|---|
| Name | 2,6-di-sec-Butylphenol, trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.149364403 u |
| Formula | C16H21F3O2 |
| InChI | InChI=1S/C16H21F3O2/c1-5-10(3)12-8-7-9-13(11(4)6-2)14(12)21-15(20)16(17,18)19/h7-11H,5-6H2,1-4H3 |
| InChIKey | WTZMRDVJWKULOP-UHFFFAOYSA-N |
| Molecular Weight | 302.337 g/mol |
| SMILES | C1=C(C(=C(C=C1)C(C)CC)OC(C(F)(F)F)=O)C(C)CC |