| SpectraBase Compound ID | 5tzkBaxvqsr |
|---|---|
| InChI | InChI=1S/C14H17FO4/c1-2-3-9-18-13(16)11-4-6-12(7-5-11)14(17)19-10-8-15/h4-7H,2-3,8-10H2,1H3 |
| InChIKey | TXTDCYGIPALSSD-UHFFFAOYSA-N |
| Mol Weight | 268.28 g/mol |
| Molecular Formula | C14H17FO4 |
| Exact Mass | 268.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9d8o1riVcC |
|---|---|
| Name | Terephthalic acid, butyl 2-fluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.111087186 u |
| Formula | C14H17FO4 |
| InChI | InChI=1S/C14H17FO4/c1-2-3-9-18-13(16)11-4-6-12(7-5-11)14(17)19-10-8-15/h4-7H,2-3,8-10H2,1H3 |
| InChIKey | TXTDCYGIPALSSD-UHFFFAOYSA-N |
| Molecular Weight | 268.284 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(OCCF)=O |