| SpectraBase Compound ID | Ioiqx1xn3zI |
|---|---|
| InChI | InChI=1S/C13H12ClF3O4/c1-8(13(15,16)17)20-11(18)5-6-12(19)21-10-4-2-3-9(14)7-10/h2-4,7-8H,5-6H2,1H3 |
| InChIKey | PDKNAXJOWNBFCK-UHFFFAOYSA-N |
| Mol Weight | 324.68 g/mol |
| Molecular Formula | C13H12ClF3O4 |
| Exact Mass | 324.037621 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 | FEaxmqmqAgf |
|---|---|
| Name | Succinic acid, 1,1,1-trifluoroprop-2-yl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.037621051 u |
| Formula | C13H12ClF3O4 |
| InChI | InChI=1S/C13H12ClF3O4/c1-8(13(15,16)17)20-11(18)5-6-12(19)21-10-4-2-3-9(14)7-10/h2-4,7-8H,5-6H2,1H3 |
| InChIKey | PDKNAXJOWNBFCK-UHFFFAOYSA-N |
| Molecular Weight | 324.683 g/mol |
| SMILES | C(CC(OC(C)C(F)(F)F)=O)C(OC1=CC(=CC=C1)Cl)=O |