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

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, 3-tridecyl ester
SpectraBase Compound ID 2n9tzvMh5AZ
InChI InChI=1S/C21H30F4O2/c1-3-5-6-7-8-9-10-11-13-16(4-2)27-20(26)17-14-12-15-18(19(17)22)21(23,24)25/h12,14-16H,3-11,13H2,1-2H3
InChIKey IFAWULTZZNLFPG-UHFFFAOYSA-N
Mol Weight 390.46 g/mol
Molecular Formula C21H30F4O2
Exact Mass 390.218193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPVRB4qX7rb
Name 2-Fluoro-3-trifluoromethylbenzoic acid, 3-tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.218192856 u
Formula C21H30F4O2
InChI InChI=1S/C21H30F4O2/c1-3-5-6-7-8-9-10-11-13-16(4-2)27-20(26)17-14-12-15-18(19(17)22)21(23,24)25/h12,14-16H,3-11,13H2,1-2H3
InChIKey IFAWULTZZNLFPG-UHFFFAOYSA-N
Molecular Weight 390.463 g/mol
SMILES C1(=C(C(=CC=C1)C(OC(CC)CCCCCCCCCC)=O)F)C(F)(F)F