| SpectraBase Compound ID | Hw5dTt4idsa |
|---|---|
| InChI | InChI=1S/C12H9F5O4/c1-2-20-5(18)3-4-6(19)21-12-10(16)8(14)7(13)9(15)11(12)17/h2-4H2,1H3 |
| InChIKey | UJJIVIIWNPPMNN-UHFFFAOYSA-N |
| Mol Weight | 312.19 g/mol |
| Molecular Formula | C12H9F5O4 |
| Exact Mass | 312.0421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qRfDkedkxw |
|---|---|
| Name | Succinic acid, ethyl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.042099581 u |
| Formula | C12H9F5O4 |
| InChI | InChI=1S/C12H9F5O4/c1-2-20-5(18)3-4-6(19)21-12-10(16)8(14)7(13)9(15)11(12)17/h2-4H2,1H3 |
| InChIKey | UJJIVIIWNPPMNN-UHFFFAOYSA-N |
| Molecular Weight | 312.192 g/mol |
| SMILES | C(CC(OCC)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O |