| SpectraBase Compound ID | HeyZU6XGg1k |
|---|---|
| InChI | InChI=1S/C14H13F5O4/c1-3-22-7(20)4-5-8(21)23-6(2)9-10(15)12(17)14(19)13(18)11(9)16/h6H,3-5H2,1-2H3 |
| InChIKey | OVUCRNDGRPPRSX-UHFFFAOYSA-N |
| Mol Weight | 340.25 g/mol |
| Molecular Formula | C14H13F5O4 |
| Exact Mass | 340.0734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qW8mznGuWM |
|---|---|
| Name | Succinic acid, ethyl 1-(pentafluorophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.073399710 u |
| Formula | C14H13F5O4 |
| InChI | InChI=1S/C14H13F5O4/c1-3-22-7(20)4-5-8(21)23-6(2)9-10(15)12(17)14(19)13(18)11(9)16/h6H,3-5H2,1-2H3 |
| InChIKey | OVUCRNDGRPPRSX-UHFFFAOYSA-N |
| Molecular Weight | 340.246 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCC)=O)C)F)F)F |