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5-Fluoro-2-trifluoromethylbenzoic acid, 2-pentadecyl ester

View entire compound with spectra: 1 NMR

5-Fluoro-2-trifluoromethylbenzoic acid, 2-pentadecyl ester
SpectraBase Compound ID LlLHeB7bgpS
InChI InChI=1S/C23H34F4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(2)29-22(28)20-17-19(24)15-16-21(20)23(25,26)27/h15-18H,3-14H2,1-2H3
InChIKey PJDIUDGLXYJXBS-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C23H34F4O2
Exact Mass 418.249493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xKLYEppjzJ
Name 5-Fluoro-2-trifluoromethylbenzoic acid, 2-pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.249492985 u
Formula C23H34F4O2
InChI InChI=1S/C23H34F4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(2)29-22(28)20-17-19(24)15-16-21(20)23(25,26)27/h15-18H,3-14H2,1-2H3
InChIKey PJDIUDGLXYJXBS-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C1=C(C(=CC(=C1)F)C(OC(C)CCCCCCCCCCCCC)=O)C(F)(F)F