| SpectraBase Compound ID | DePNudKjal2 |
|---|---|
| InChI | InChI=1S/C14H15F3O5/c1-2-20-12(18)7-8-13(19)21-9-10-3-5-11(6-4-10)22-14(15,16)17/h3-6H,2,7-9H2,1H3 |
| InChIKey | KKEJXQUCMJRKBV-UHFFFAOYSA-N |
| Mol Weight | 320.26 g/mol |
| Molecular Formula | C14H15F3O5 |
| Exact Mass | 320.087158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7B9oattDYD5 |
|---|---|
| Name | Succinic acid, ethyl 4-trifluoromethoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.087158067 u |
| Formula | C14H15F3O5 |
| InChI | InChI=1S/C14H15F3O5/c1-2-20-12(18)7-8-13(19)21-9-10-3-5-11(6-4-10)22-14(15,16)17/h3-6H,2,7-9H2,1H3 |
| InChIKey | KKEJXQUCMJRKBV-UHFFFAOYSA-N |
| Molecular Weight | 320.264 g/mol |
| SMILES | C(CCC(OCC1=CC=C(OC(F)(F)F)C=C1)=O)(OCC)=O |