| SpectraBase Compound ID | 4UC88qdYp7L |
|---|---|
| InChI | InChI=1S/C14H11F4NO4/c15-13(16)14(17,18)8-22-11(20)5-6-12(21)23-10-3-1-9(7-19)2-4-10/h1-4,13H,5-6,8H2 |
| InChIKey | PEHFOTYUWMATHU-UHFFFAOYSA-N |
| Mol Weight | 333.24 g/mol |
| Molecular Formula | C14H11F4NO4 |
| Exact Mass | 333.06242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUQRSlNplil |
|---|---|
| Name | Succinic acid, 2,2,3,3-tetrafluoropropyl 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.062420486 u |
| Formula | C14H11F4NO4 |
| InChI | InChI=1S/C14H11F4NO4/c15-13(16)14(17,18)8-22-11(20)5-6-12(21)23-10-3-1-9(7-19)2-4-10/h1-4,13H,5-6,8H2 |
| InChIKey | PEHFOTYUWMATHU-UHFFFAOYSA-N |
| Molecular Weight | 333.239 g/mol |
| SMILES | C(CC(OCC(C(F)F)(F)F)=O)C(OC=1C=CC(=CC1)C#N)=O |