| SpectraBase Compound ID | Ce48A53zHec |
|---|---|
| InChI | InChI=1S/C12H21F3O2/c1-5-9(3)7-8-11(4,6-2)17-10(16)12(13,14)15/h9H,5-8H2,1-4H3 |
| InChIKey | MFNOTYOEFQSGSP-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C12H21F3O2 |
| Exact Mass | 254.149364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMM3vILxX7B |
|---|---|
| Name | Trifluoroacetic acid, 3,6-dimethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.149364403 u |
| Formula | C12H21F3O2 |
| InChI | InChI=1S/C12H21F3O2/c1-5-9(3)7-8-11(4,6-2)17-10(16)12(13,14)15/h9H,5-8H2,1-4H3 |
| InChIKey | MFNOTYOEFQSGSP-UHFFFAOYSA-N |
| Molecular Weight | 254.293 g/mol |
| SMILES | C(F)(F)(F)C(OC(CCC(CC)C)(CC)C)=O |