| SpectraBase Compound ID | 9EeWTF642SO |
|---|---|
| InChI | InChI=1S/C13H14ClFO4/c1-2-18-12(16)6-7-13(17)19-8-9-10(14)4-3-5-11(9)15/h3-5H,2,6-8H2,1H3 |
| InChIKey | XHJYSCAYZYMIIO-UHFFFAOYSA-N |
| Mol Weight | 288.7 g/mol |
| Molecular Formula | C13H14ClFO4 |
| Exact Mass | 288.056465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6W2Ny5c0reN |
|---|---|
| Name | Succinic acid, 2-chloro-6-fluorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.056464790 u |
| Formula | C13H14ClFO4 |
| InChI | InChI=1S/C13H14ClFO4/c1-2-18-12(16)6-7-13(17)19-8-9-10(14)4-3-5-11(9)15/h3-5H,2,6-8H2,1H3 |
| InChIKey | XHJYSCAYZYMIIO-UHFFFAOYSA-N |
| Molecular Weight | 288.702 g/mol |
| SMILES | C1=CC(=C(C(=C1)Cl)COC(=O)CCC(OCC)=O)F |