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4-Fluoro-3-trifluoromethylbenzoic acid, 3-tetradecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-3-trifluoromethylbenzoic acid, 3-tetradecyl ester
SpectraBase Compound ID 1Z4z3b4Ubkb
InChI InChI=1S/C22H32F4O2/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)28-21(27)17-14-15-20(23)19(16-17)22(24,25)26/h14-16,18H,3-13H2,1-2H3
InChIKey DBKHJBRCBXMWAI-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32F4O2
Exact Mass 404.233843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeGzeH02gYO
Name 4-Fluoro-3-trifluoromethylbenzoic acid, 3-tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.233842920 u
Formula C22H32F4O2
InChI InChI=1S/C22H32F4O2/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)28-21(27)17-14-15-20(23)19(16-17)22(24,25)26/h14-16,18H,3-13H2,1-2H3
InChIKey DBKHJBRCBXMWAI-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C1=CC(=CC(=C1F)C(F)(F)F)C(OC(CC)CCCCCCCCCCC)=O