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3-Trifluoromethylbenzoic acid, heptadecyl ester

View entire compound with spectra: 1 NMR

3-Trifluoromethylbenzoic acid, heptadecyl ester
SpectraBase Compound ID HVyY3wdcUrg
InChI InChI=1S/C25H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-24(29)22-18-17-19-23(21-22)25(26,27)28/h17-19,21H,2-16,20H2,1H3
InChIKey GSESWALMSGCUEO-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C25H39F3O2
Exact Mass 428.290215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mY19dX2b9L
Name 3-Trifluoromethylbenzoic acid, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.290214983 u
Formula C25H39F3O2
InChI InChI=1S/C25H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-24(29)22-18-17-19-23(21-22)25(26,27)28/h17-19,21H,2-16,20H2,1H3
InChIKey GSESWALMSGCUEO-UHFFFAOYSA-N
Molecular Weight 428.580 g/mol
SMILES C(CCCCCCCCCCCC)CCCCOC(=O)C1=CC(C(F)(F)F)=CC=C1