| SpectraBase Compound ID | Amni8jmIsCS |
|---|---|
| InChI | InChI=1S/C12H17F3O2/c1-8(2)5-6-10(9(3)4)7-17-11(16)12(13,14)15/h5,10H,3,6-7H2,1-2,4H3 |
| InChIKey | NMBAKMPLONJXSQ-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 | KZTAYxwUPVT |
|---|---|
| Name | Trifluoroacetyl-lavandulol |
| 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/c1-8(2)5-6-10(9(3)4)7-17-11(16)12(13,14)15/h5,10H,3,6-7H2,1-2,4H3 |
| InChIKey | NMBAKMPLONJXSQ-UHFFFAOYSA-N |
| Molecular Weight | 250.261 g/mol |
| SMILES | CC(=CCC(C(=C)C)COC(=O)C(F)(F)F)C |