| SpectraBase Compound ID | KxRKFN8RN1j |
|---|---|
| InChI | InChI=1S/C12H13F3O2/c1-7(2)9-5-4-8(3)10(6-9)17-11(16)12(13,14)15/h4-7H,1-3H3 |
| InChIKey | LIQXHTWVIILVJM-UHFFFAOYSA-N |
| Mol Weight | 246.23 g/mol |
| Molecular Formula | C12H13F3O2 |
| Exact Mass | 246.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FtqIPeZGfNS |
|---|---|
| Name | o-Trifluoroacetyl-carvacrol |
| 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)10(6-9)17-11(16)12(13,14)15/h4-7H,1-3H3 |
| InChIKey | LIQXHTWVIILVJM-UHFFFAOYSA-N |
| Molecular Weight | 246.229 g/mol |
| SMILES | C1=C(C(=CC=C1C(C)C)C)OC(=O)C(F)(F)F |