SpectraBase Compound ID | EcMMeU5lYoy |
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InChI | InChI=1S/C20H28F4O2/c1-3-4-5-6-7-8-9-10-11-15(2)26-19(25)17-14-16(21)12-13-18(17)20(22,23)24/h12-15H,3-11H2,1-2H3 |
InChIKey | VQQRCGDDGMZTDK-UHFFFAOYSA-N |
Mol Weight | 376.44 g/mol |
Molecular Formula | C20H28F4O2 |
Exact Mass | 376.202543 g/mol |
SpectraBase Spectrum ID | 6UJx6oZSbun |
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Name | 5-Fluoro-2-trifluoromethylbenzoic acid, 2-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/c1-3-4-5-6-7-8-9-10-11-15(2)26-19(25)17-14-16(21)12-13-18(17)20(22,23)24/h12-15H,3-11H2,1-2H3 |
InChIKey | VQQRCGDDGMZTDK-UHFFFAOYSA-N |
Molecular Weight | 376.436 g/mol |
SMILES | C1=C(C(=CC(=C1)F)C(OC(C)CCCCCCCCCC)=O)C(F)(F)F |