| SpectraBase Compound ID | LyZDKwUuhH6 |
|---|---|
| InChI | InChI=1S/C13H12F4O4/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 | KONWWSKRLIYRPZ-UHFFFAOYSA-N |
| Mol Weight | 308.23 g/mol |
| Molecular Formula | C13H12F4O4 |
| Exact Mass | 308.067172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8q8E51juQ3 |
|---|---|
| Name | Succinic acid, 1,1,1-trifluoroprop-2-yl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.067171514 u |
| Formula | C13H12F4O4 |
| InChI | InChI=1S/C13H12F4O4/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 | KONWWSKRLIYRPZ-UHFFFAOYSA-N |
| Molecular Weight | 308.229 g/mol |
| SMILES | C(CC(OC(C)C(F)(F)F)=O)C(OC1=CC=CC(=C1)F)=O |