| SpectraBase Compound ID | J6yW56TXk6G |
|---|---|
| InChI | InChI=1S/C20H35F3O4/c1-3-4-5-6-7-8-9-10-11-12-16-26-18(24)14-13-15-19(25)27-17(2)20(21,22)23/h17H,3-16H2,1-2H3 |
| InChIKey | VXKVKGVGRLXIJL-UHFFFAOYSA-N |
| Mol Weight | 396.5 g/mol |
| Molecular Formula | C20H35F3O4 |
| Exact Mass | 396.248744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ENksagi4q2x |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.248744092 u |
| Formula | C20H35F3O4 |
| InChI | InChI=1S/C20H35F3O4/c1-3-4-5-6-7-8-9-10-11-12-16-26-18(24)14-13-15-19(25)27-17(2)20(21,22)23/h17H,3-16H2,1-2H3 |
| InChIKey | VXKVKGVGRLXIJL-UHFFFAOYSA-N |
| Molecular Weight | 396.491 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCCCCCCCCCCCC)=O |