| SpectraBase Compound ID | Ir9GquyyE8h |
|---|---|
| InChI | InChI=1S/C13H15FO4/c1-2-8-17-12(15)10-3-5-11(6-4-10)13(16)18-9-7-14/h3-6H,2,7-9H2,1H3 |
| InChIKey | PMBQHJMTQLMHKC-UHFFFAOYSA-N |
| Mol Weight | 254.26 g/mol |
| Molecular Formula | C13H15FO4 |
| Exact Mass | 254.095437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQ24TJPvfw7 |
|---|---|
| Name | Terephthalic acid, 2-fluoroethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.095437122 u |
| Formula | C13H15FO4 |
| InChI | InChI=1S/C13H15FO4/c1-2-8-17-12(15)10-3-5-11(6-4-10)13(16)18-9-7-14/h3-6H,2,7-9H2,1H3 |
| InChIKey | PMBQHJMTQLMHKC-UHFFFAOYSA-N |
| Molecular Weight | 254.257 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(OCCF)=O |