| SpectraBase Compound ID | 97J4yq5TLtm |
|---|---|
| InChI | InChI=1S/C12H17F3O2/c1-6-8-4-7(11(8,2)3)5-9(6)17-10(16)12(13,14)15/h6-9H,4-5H2,1-3H3 |
| InChIKey | RTKYKDIJMNMMJQ-UHFFFAOYSA-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 | CYuuQIed3Of |
|---|---|
| Name | (-)-isopinocampheol, trifluoroacetate |
| 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/c1-6-8-4-7(11(8,2)3)5-9(6)17-10(16)12(13,14)15/h6-9H,4-5H2,1-3H3 |
| InChIKey | RTKYKDIJMNMMJQ-UHFFFAOYSA-N |
| Molecular Weight | 250.261 g/mol |
| SMILES | CC1(C)C2CC1CC(C2C)OC(C(F)(F)F)=O |