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3-Trifluoromethylbenzoic acid, 4-tridecyl ester

View entire compound with spectra: 1 NMR

3-Trifluoromethylbenzoic acid, 4-tridecyl ester
SpectraBase Compound ID Il4QNouhY2R
InChI InChI=1S/C21H31F3O2/c1-3-5-6-7-8-9-10-15-19(12-4-2)26-20(25)17-13-11-14-18(16-17)21(22,23)24/h11,13-14,16,19H,3-10,12,15H2,1-2H3
InChIKey IKMUEGRYQXQCNK-UHFFFAOYSA-N
Mol Weight 372.47 g/mol
Molecular Formula C21H31F3O2
Exact Mass 372.227615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bkICFIHUv8
Name 3-Trifluoromethylbenzoic acid, 4-tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.227614725 u
Formula C21H31F3O2
InChI InChI=1S/C21H31F3O2/c1-3-5-6-7-8-9-10-15-19(12-4-2)26-20(25)17-13-11-14-18(16-17)21(22,23)24/h11,13-14,16,19H,3-10,12,15H2,1-2H3
InChIKey IKMUEGRYQXQCNK-UHFFFAOYSA-N
Molecular Weight 372.472 g/mol
SMILES C1=CC(C(F)(F)F)=CC(=C1)C(=O)OC(CCCCCCCCC)CCC