| SpectraBase Compound ID | 9WqufI0QPpz |
|---|---|
| InChI | InChI=1S/C12H13F3O2/c1-7(2)9-5-4-8(3)6-10(9)17-11(16)12(13,14)15/h4-7H,1-3H3 |
| InChIKey | JCUNKWOKEHERDO-UHFFFAOYSA-N |
| Mol Weight | 246.23 g/mol |
| Molecular Formula | C12H13F3O2 |
| Exact Mass | 246.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92gy31LrDJ |
|---|---|
| Name | o-Trifluoroacetyl-thymol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.086764146 u |
| Formula | C12H13F3O2 |
| InChI | InChI=1S/C12H13F3O2/c1-7(2)9-5-4-8(3)6-10(9)17-11(16)12(13,14)15/h4-7H,1-3H3 |
| InChIKey | JCUNKWOKEHERDO-UHFFFAOYSA-N |
| Molecular Weight | 246.229 g/mol |
| SMILES | C1(=CC(=C(C=C1)C(C)C)OC(C(F)(F)F)=O)C |