| SpectraBase Compound ID | 6Xb9jJ2aTcT |
|---|---|
| InChI | InChI=1S/C14H13F5O4/c1-2-7-22-11(20)9-3-5-10(6-4-9)12(21)23-8-13(15,16)14(17,18)19/h3-6H,2,7-8H2,1H3 |
| InChIKey | AOMWBJGKIVQCRD-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 | IEayuaVCLVa |
|---|---|
| Name | Terephthalic acid, 2,2,3,3,3-pentafluoropropyl propyl 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/c1-2-7-22-11(20)9-3-5-10(6-4-9)12(21)23-8-13(15,16)14(17,18)19/h3-6H,2,7-8H2,1H3 |
| InChIKey | AOMWBJGKIVQCRD-UHFFFAOYSA-N |
| Molecular Weight | 340.246 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(OCC(C(F)(F)F)(F)F)=O |