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4-Fluoro-2-trifluromethylbenzoic acid, 5-tridecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-2-trifluromethylbenzoic acid, 5-tridecyl ester
SpectraBase Compound ID 5XQMsABagJ3
InChI InChI=1S/C21H30F4O2/c1-3-5-7-8-9-10-12-17(11-6-4-2)27-20(26)18-14-13-16(22)15-19(18)21(23,24)25/h13-15,17H,3-12H2,1-2H3
InChIKey NIEHFGHTABDHHW-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 Gqk7wN5jcAH
Name 4-Fluoro-2-trifluromethylbenzoic acid, 5-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/c1-3-5-7-8-9-10-12-17(11-6-4-2)27-20(26)18-14-13-16(22)15-19(18)21(23,24)25/h13-15,17H,3-12H2,1-2H3
InChIKey NIEHFGHTABDHHW-UHFFFAOYSA-N
Molecular Weight 390.463 g/mol
SMILES C1=C(C(=CC=C1F)C(OC(CCCC)CCCCCCCC)=O)C(F)(F)F