| SpectraBase Compound ID | 6zQQLMUE5rh |
|---|---|
| InChI | InChI=1S/C14H15F3O4/c1-2-20-11(18)8-9-12(19)21-13(14(15,16)17)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3 |
| InChIKey | NSKMJTGLDUGMLP-UHFFFAOYSA-N |
| Mol Weight | 304.27 g/mol |
| Molecular Formula | C14H15F3O4 |
| Exact Mass | 304.092243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrzyCV5zvKx |
|---|---|
| Name | Succinic acid, ethyl 1-phenyl-2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.092243448 u |
| Formula | C14H15F3O4 |
| InChI | InChI=1S/C14H15F3O4/c1-2-20-11(18)8-9-12(19)21-13(14(15,16)17)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3 |
| InChIKey | NSKMJTGLDUGMLP-UHFFFAOYSA-N |
| Molecular Weight | 304.265 g/mol |
| SMILES | C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCC)=O |