| SpectraBase Compound ID | AfeIT1GmxV7 |
|---|---|
| InChI | InChI=1S/C12H17F3O2/c1-7(2)9-5-4-8(3)6-10(9)17-11(16)12(13,14)15/h8-10H,1,4-6H2,2-3H3 |
| InChIKey | SQVJGCCKIYALHN-UHFFFAOYSA-N |
| Mol Weight | 250.26 g/mol |
| Molecular Formula | C12H17F3O2 |
| Exact Mass | 250.118064 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 | 6qt3aKWQi3h |
|---|---|
| Name | o-Trifluoroacetyl-isopulegol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.118064274 u |
| Formula | C12H17F3O2 |
| InChI | InChI=1S/C12H17F3O2/c1-7(2)9-5-4-8(3)6-10(9)17-11(16)12(13,14)15/h8-10H,1,4-6H2,2-3H3 |
| InChIKey | SQVJGCCKIYALHN-UHFFFAOYSA-N |
| Molecular Weight | 250.261 g/mol |
| SMILES | C1C(CC(C(C1)C(=C)C)OC(=O)C(F)(F)F)C |