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2-Trifluoromethylbenzoic acid, tetradecyl ester

View entire compound with spectra: 1 NMR

2-Trifluoromethylbenzoic acid, tetradecyl ester
SpectraBase Compound ID 3Gy6jkHcpH4
InChI InChI=1S/C22H33F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-27-21(26)19-16-13-14-17-20(19)22(23,24)25/h13-14,16-17H,2-12,15,18H2,1H3
InChIKey NIWDLPZYZWFBHQ-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C22H33F3O2
Exact Mass 386.243265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESHxyfJ1fRm
Name 2-Trifluoromethylbenzoic acid, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.243264790 u
Formula C22H33F3O2
InChI InChI=1S/C22H33F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-27-21(26)19-16-13-14-17-20(19)22(23,24)25/h13-14,16-17H,2-12,15,18H2,1H3
InChIKey NIWDLPZYZWFBHQ-UHFFFAOYSA-N
Molecular Weight 386.499 g/mol
SMILES C1=CC=C(C(=C1)C(OCCCCCCCCCCCCCC)=O)C(F)(F)F