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2-Fluoro-3-trifluoromethylbenzoic acid, octadecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, octadecyl ester
SpectraBase Compound ID DkvX6VVwGfr
InChI InChI=1S/C26H40F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-25(31)22-19-18-20-23(24(22)27)26(28,29)30/h18-20H,2-17,21H2,1H3
InChIKey ZJVKQVVVLUGAPR-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H40F4O2
Exact Mass 460.296443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ltvr79Ew1dD
Name 2-Fluoro-3-trifluoromethylbenzoic acid, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.296443178 u
Formula C26H40F4O2
InChI InChI=1S/C26H40F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-25(31)22-19-18-20-23(24(22)27)26(28,29)30/h18-20H,2-17,21H2,1H3
InChIKey ZJVKQVVVLUGAPR-UHFFFAOYSA-N
Molecular Weight 460.598 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)CCCCCCCC