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2,5-di(Trifluoromethyl)benzoic acid, pentadecyl ester

View entire compound with spectra: 1 NMR

2,5-di(Trifluoromethyl)benzoic acid, pentadecyl ester
SpectraBase Compound ID 1UNtW3XyPXm
InChI InChI=1S/C24H34F6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-32-22(31)20-18-19(23(25,26)27)15-16-21(20)24(28,29)30/h15-16,18H,2-14,17H2,1H3
InChIKey OQAGOVODWOBRMN-UHFFFAOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C24H34F6O2
Exact Mass 468.246299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZWNpFlkrBI
Name 2,5-di(Trifluoromethyl)benzoic acid, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.246299311 u
Formula C24H34F6O2
InChI InChI=1S/C24H34F6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-32-22(31)20-18-19(23(25,26)27)15-16-21(20)24(28,29)30/h15-16,18H,2-14,17H2,1H3
InChIKey OQAGOVODWOBRMN-UHFFFAOYSA-N
Molecular Weight 468.524 g/mol
SMILES C(CCCCCCCCCOC(C1=CC(=CC=C1C(F)(F)F)C(F)(F)F)=O)CCCCC