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2-Trifluoromethylbenzoic acid, 4-tridecyl ester

View entire compound with spectra: 1 NMR

2-Trifluoromethylbenzoic acid, 4-tridecyl ester
SpectraBase Compound ID H5zBW9Drpxi
InChI InChI=1S/C21H31F3O2/c1-3-5-6-7-8-9-10-14-17(13-4-2)26-20(25)18-15-11-12-16-19(18)21(22,23)24/h11-12,15-17H,3-10,13-14H2,1-2H3
InChIKey SRGPXYOFTSTHSP-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 KrdSBW8ofWh
Name 2-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/c1-3-5-6-7-8-9-10-14-17(13-4-2)26-20(25)18-15-11-12-16-19(18)21(22,23)24/h11-12,15-17H,3-10,13-14H2,1-2H3
InChIKey SRGPXYOFTSTHSP-UHFFFAOYSA-N
Molecular Weight 372.472 g/mol
SMILES C1=CC=C(C(=C1)C(OC(CCC)CCCCCCCCC)=O)C(F)(F)F