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4-Fluoro-3-trifluoromethylbenzoic acid, 5-dodecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-3-trifluoromethylbenzoic acid, 5-dodecyl ester
SpectraBase Compound ID C0abOWPEqJP
InChI InChI=1S/C20H28F4O2/c1-3-5-7-8-9-11-16(10-6-4-2)26-19(25)15-12-13-18(21)17(14-15)20(22,23)24/h12-14,16H,3-11H2,1-2H3
InChIKey YIIDDGJLTYGQFQ-UHFFFAOYSA-N
Mol Weight 376.44 g/mol
Molecular Formula C20H28F4O2
Exact Mass 376.202543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tjrnDNQorq
Name 4-Fluoro-3-trifluoromethylbenzoic 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)15-12-13-18(21)17(14-15)20(22,23)24/h12-14,16H,3-11H2,1-2H3
InChIKey YIIDDGJLTYGQFQ-UHFFFAOYSA-N
Molecular Weight 376.436 g/mol
SMILES C1=CC(=CC(=C1F)C(F)(F)F)C(OC(CCCC)CCCCCCC)=O