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

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, 3-pentadecyl ester
SpectraBase Compound ID JtZGNO97lOK
InChI InChI=1S/C23H34F4O2/c1-3-5-6-7-8-9-10-11-12-13-15-18(4-2)29-22(28)19-16-14-17-20(21(19)24)23(25,26)27/h14,16-18H,3-13,15H2,1-2H3
InChIKey ZWKCBIMUCALWNX-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 DgFD4YANWxT
Name 2-Fluoro-3-trifluoromethylbenzoic acid, 3-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/c1-3-5-6-7-8-9-10-11-12-13-15-18(4-2)29-22(28)19-16-14-17-20(21(19)24)23(25,26)27/h14,16-18H,3-13,15H2,1-2H3
InChIKey ZWKCBIMUCALWNX-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C1(=C(C(=CC=C1)C(OC(CC)CCCCCCCCCCCC)=O)F)C(F)(F)F