| SpectraBase Compound ID | Ln8QG1CNDIz |
|---|---|
| InChI | InChI=1S/C12H17F3O2/c1-10(2)7-4-5-11(3,6-7)8(10)17-9(16)12(13,14)15/h7-8H,4-6H2,1-3H3/t7-,8+,11+/m1/s1 |
| InChIKey | HSBRSWBTHKSVLN-FYBVGQRMSA-N |
| Mol Weight | 250.26 g/mol |
| Molecular Formula | C12H17F3O2 |
| Exact Mass | 250.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIN9HE5bx5p |
|---|---|
| Name | Trifluoroacetyl-.alpha.-fenchol |
| 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/c1-10(2)7-4-5-11(3,6-7)8(10)17-9(16)12(13,14)15/h7-8H,4-6H2,1-3H3/t7-,8+,11+/m1/s1 |
| InChIKey | HSBRSWBTHKSVLN-FYBVGQRMSA-N |
| Molecular Weight | 250.261 g/mol |
| SMILES | C1C[C@@]2([C@](C([C@]1(C2)[H])(C)C)(OC(=O)C(F)(F)F)[H])C |