| SpectraBase Compound ID | Fmhft78psC7 |
|---|---|
| InChI | InChI=1S/C16H25F3O4/c1-12(16(17,18)19)23-15(21)9-5-8-14(20)22-11-10-13-6-3-2-4-7-13/h12-13H,2-11H2,1H3 |
| InChIKey | XQZKEAUJMCIKER-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 | 609XD3iWFuC |
|---|---|
| Name | Glutaric acid, 2-(cyclohexyl)ethyl 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/c1-12(16(17,18)19)23-15(21)9-5-8-14(20)22-11-10-13-6-3-2-4-7-13/h12-13H,2-11H2,1H3 |
| InChIKey | XQZKEAUJMCIKER-UHFFFAOYSA-N |
| Molecular Weight | 338.367 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCCC1CCCCC1)=O |