| SpectraBase Compound ID | jFlvuIubdn |
|---|---|
| InChI | InChI=1S/C20H28F4O2/c1-3-5-6-7-8-9-10-11-16(4-2)26-19(25)17-13-12-15(21)14-18(17)20(22,23)24/h12-14,16H,3-11H2,1-2H3 |
| InChIKey | XALOMTPMLJTQRI-UHFFFAOYSA-N |
| Mol Weight | 376.44 g/mol |
| Molecular Formula | C20H28F4O2 |
| Exact Mass | 376.202543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Oa2B3cnbXt |
|---|---|
| Name | 4-Fluoro-2-trifluromethylbenzoic acid, 3-dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.202542792 u |
| Formula | C20H28F4O2 |
| InChI | InChI=1S/C20H28F4O2/c1-3-5-6-7-8-9-10-11-16(4-2)26-19(25)17-13-12-15(21)14-18(17)20(22,23)24/h12-14,16H,3-11H2,1-2H3 |
| InChIKey | XALOMTPMLJTQRI-UHFFFAOYSA-N |
| Molecular Weight | 376.436 g/mol |
| SMILES | C1(=CC=C(C=C1C(F)(F)F)F)C(OC(CC)CCCCCCCCC)=O |