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6-Fluoro-2-trifluoromethylbenzoic acid, nonadecyl ester

View entire compound with spectra: 1 NMR

6-Fluoro-2-trifluoromethylbenzoic acid, nonadecyl ester
SpectraBase Compound ID 4V2J4YOXtJO
InChI InChI=1S/C27H42F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-26(32)25-23(27(29,30)31)20-19-21-24(25)28/h19-21H,2-18,22H2,1H3
InChIKey RDXMJWNWGKMXND-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C27H42F4O2
Exact Mass 474.312093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Q4iFfmRnJa
Name 6-Fluoro-2-trifluoromethylbenzoic acid, nonadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.312093242 u
Formula C27H42F4O2
InChI InChI=1S/C27H42F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-26(32)25-23(27(29,30)31)20-19-21-24(25)28/h19-21H,2-18,22H2,1H3
InChIKey RDXMJWNWGKMXND-UHFFFAOYSA-N
Molecular Weight 474.625 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C=CC=C1C(F)(F)F)F)=O)CCCCCCCCC