| SpectraBase Compound ID | HNK5fsZgdTp |
|---|---|
| InChI | InChI=1S/C20H28F4O2/c1-3-5-7-8-9-11-16(10-6-4-2)26-19(25)17-13-12-15(21)14-18(17)20(22,23)24/h12-14,16H,3-11H2,1-2H3 |
| InChIKey | ZJWQSHHWDCVHOQ-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 | AhItwyxhdQV |
|---|---|
| Name | 4-Fluoro-2-trifluromethylbenzoic acid, 5-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/c1-3-5-7-8-9-11-16(10-6-4-2)26-19(25)17-13-12-15(21)14-18(17)20(22,23)24/h12-14,16H,3-11H2,1-2H3 |
| InChIKey | ZJWQSHHWDCVHOQ-UHFFFAOYSA-N |
| Molecular Weight | 376.436 g/mol |
| SMILES | C1=C(C(=CC=C1F)C(OC(CCCC)CCCCCCC)=O)C(F)(F)F |