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2-Fluoro-3-trifluoromethylbenzoic acid, 3-dodecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, 3-dodecyl ester
SpectraBase Compound ID LeTUnxfIQvz
InChI InChI=1S/C20H28F4O2/c1-3-5-6-7-8-9-10-12-15(4-2)26-19(25)16-13-11-14-17(18(16)21)20(22,23)24/h11,13-15H,3-10,12H2,1-2H3
InChIKey SCIQGJAHUIBGPQ-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 KmGNabN3ec3
Name 2-Fluoro-3-trifluoromethylbenzoic 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/c1-3-5-6-7-8-9-10-12-15(4-2)26-19(25)16-13-11-14-17(18(16)21)20(22,23)24/h11,13-15H,3-10,12H2,1-2H3
InChIKey SCIQGJAHUIBGPQ-UHFFFAOYSA-N
Molecular Weight 376.436 g/mol
SMILES C1(=C(C=CC=C1C(OC(CC)CCCCCCCCC)=O)C(F)(F)F)F