| SpectraBase Compound ID | FdnBb0aURa8 |
|---|---|
| InChI | InChI=1S/C16H25F3O4/c1-3-12-7-4-5-8-13(12)23-15(21)10-6-9-14(20)22-11(2)16(17,18)19/h11-13H,3-10H2,1-2H3 |
| InChIKey | QSWNEEACYTWENE-UHFFFAOYSA-N |
| Mol Weight | 338.37 g/mol |
| Molecular Formula | C16H25F3O4 |
| Exact Mass | 338.170494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JbRSLpVU4I |
|---|---|
| Name | Glutaric acid, 2-ethylcyclohexyl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.170493770 u |
| Formula | C16H25F3O4 |
| InChI | InChI=1S/C16H25F3O4/c1-3-12-7-4-5-8-13(12)23-15(21)10-6-9-14(20)22-11(2)16(17,18)19/h11-13H,3-10H2,1-2H3 |
| InChIKey | QSWNEEACYTWENE-UHFFFAOYSA-N |
| Molecular Weight | 338.367 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OC1C(CC)CCCC1)=O |