| SpectraBase Compound ID | 9xvhOPD5wNA |
|---|---|
| InChI | InChI=1S/C16H29F3O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(20)21-11-16(17,18)19/h12-14H,5-11H2,1-4H3 |
| InChIKey | LFIUGDALJYDFLO-UHFFFAOYSA-N |
| Mol Weight | 310.4 g/mol |
| Molecular Formula | C16H29F3O2 |
| Exact Mass | 310.211965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41crUKFooD1 |
|---|---|
| Name | 2,6,10-Trimethylundecanoic acid, 2,2,2- trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.211964661 u |
| Formula | C16H29F3O2 |
| InChI | InChI=1S/C16H29F3O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(20)21-11-16(17,18)19/h12-14H,5-11H2,1-4H3 |
| InChIKey | LFIUGDALJYDFLO-UHFFFAOYSA-N |
| Molecular Weight | 310.401 g/mol |
| SMILES | C(CC(CCCC(C(=O)OCC(F)(F)F)C)C)CC(C)C |