| SpectraBase Compound ID | 3QPsQnIrIg8 |
|---|---|
| InChI | InChI=1S/C14H12F3NO4/c1-9(14(15,16)17)21-12(19)6-7-13(20)22-11-4-2-10(8-18)3-5-11/h2-5,9H,6-7H2,1H3 |
| InChIKey | KDBJGXDZRMNORF-UHFFFAOYSA-N |
| Mol Weight | 315.25 g/mol |
| Molecular Formula | C14H12F3NO4 |
| Exact Mass | 315.071842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1ZQ9YVD1lJ |
|---|---|
| Name | Succinic acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.071842355 u |
| Formula | C14H12F3NO4 |
| InChI | InChI=1S/C14H12F3NO4/c1-9(14(15,16)17)21-12(19)6-7-13(20)22-11-4-2-10(8-18)3-5-11/h2-5,9H,6-7H2,1H3 |
| InChIKey | KDBJGXDZRMNORF-UHFFFAOYSA-N |
| Molecular Weight | 315.248 g/mol |
| SMILES | C(CC(OC(C)C(F)(F)F)=O)C(OC=1C=CC(=CC1)C#N)=O |