| SpectraBase Compound ID | EDGTYFZDT3W |
|---|---|
| InChI | InChI=1S/C14H15F3O4/c1-2-20-12(18)7-8-13(19)21-9-10-5-3-4-6-11(10)14(15,16)17/h3-6H,2,7-9H2,1H3 |
| InChIKey | NLGDESROKQEBAA-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 | I2YVGjw32PY |
|---|---|
| Name | Succinic acid, ethyl 2-(trifluoromethyl)benzyl 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/c1-2-20-12(18)7-8-13(19)21-9-10-5-3-4-6-11(10)14(15,16)17/h3-6H,2,7-9H2,1H3 |
| InChIKey | NLGDESROKQEBAA-UHFFFAOYSA-N |
| Molecular Weight | 304.265 g/mol |
| SMILES | C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCC)=O |