| SpectraBase Compound ID | 7PKI6qdfOOo |
|---|---|
| InChI | InChI=1S/C16H27F3O4/c1-4-5-6-7-9-12(2)22-14(20)10-8-11-15(21)23-13(3)16(17,18)19/h12-13H,4-11H2,1-3H3 |
| InChIKey | VRNHYFRBKGVSQQ-UHFFFAOYSA-N |
| Mol Weight | 340.38 g/mol |
| Molecular Formula | C16H27F3O4 |
| Exact Mass | 340.186144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItTy2pFYqMZ |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.186143834 u |
| Formula | C16H27F3O4 |
| InChI | InChI=1S/C16H27F3O4/c1-4-5-6-7-9-12(2)22-14(20)10-8-11-15(21)23-13(3)16(17,18)19/h12-13H,4-11H2,1-3H3 |
| InChIKey | VRNHYFRBKGVSQQ-UHFFFAOYSA-N |
| Molecular Weight | 340.383 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OC(CCCCCC)C)=O |