| SpectraBase Compound ID | 4VJyLevV6kg |
|---|---|
| InChI | InChI=1S/C15H17F3O4/c1-2-10-21-12(19)8-9-13(20)22-14(15(16,17)18)11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3 |
| InChIKey | IGNBUTBAUFLECI-UHFFFAOYSA-N |
| Mol Weight | 318.29 g/mol |
| Molecular Formula | C15H17F3O4 |
| Exact Mass | 318.107894 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 | G4NsZIgpnRS |
|---|---|
| Name | Succinic acid, 1-phenyl-2,2,2-trifluoroethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.107893512 u |
| Formula | C15H17F3O4 |
| InChI | InChI=1S/C15H17F3O4/c1-2-10-21-12(19)8-9-13(20)22-14(15(16,17)18)11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3 |
| InChIKey | IGNBUTBAUFLECI-UHFFFAOYSA-N |
| Molecular Weight | 318.292 g/mol |
| SMILES | C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCC)=O |