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

View entire compound with spectra: 1 NMR

2,5-di(Trifluoromethyl)benzoic acid, hexadecyl ester
SpectraBase Compound ID 20Rq4Bn8h7h
InChI InChI=1S/C25H36F6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-33-23(32)21-19-20(24(26,27)28)16-17-22(21)25(29,30)31/h16-17,19H,2-15,18H2,1H3
InChIKey UHCXVSPHICTBQZ-UHFFFAOYSA-N
Mol Weight 482.6 g/mol
Molecular Formula C25H36F6O2
Exact Mass 482.261949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2HUGsYeslc
Name 2,5-di(Trifluoromethyl)benzoic acid, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.261949375 u
Formula C25H36F6O2
InChI InChI=1S/C25H36F6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-33-23(32)21-19-20(24(26,27)28)16-17-22(21)25(29,30)31/h16-17,19H,2-15,18H2,1H3
InChIKey UHCXVSPHICTBQZ-UHFFFAOYSA-N
Molecular Weight 482.551 g/mol
SMILES C(CCCCCCCCCOC(C1=CC(=CC=C1C(F)(F)F)C(F)(F)F)=O)CCCCCC