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3-Fluoro-5-trifluoromethylbenzoic acid, 3-dodecyl ester

View entire compound with spectra: 1 NMR

3-Fluoro-5-trifluoromethylbenzoic acid, 3-dodecyl ester
SpectraBase Compound ID 25krcPlyiB
InChI InChI=1S/C20H28F4O2/c1-3-5-6-7-8-9-10-11-18(4-2)26-19(25)15-12-16(20(22,23)24)14-17(21)13-15/h12-14,18H,3-11H2,1-2H3
InChIKey GKQBAPMHLFQMSI-UHFFFAOYSA-N
Mol Weight 376.44 g/mol
Molecular Formula C20H28F4O2
Exact Mass 376.202543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcJG5A76yjR
Name 3-Fluoro-5-trifluoromethylbenzoic acid, 3-dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.202542792 u
Formula C20H28F4O2
InChI InChI=1S/C20H28F4O2/c1-3-5-6-7-8-9-10-11-18(4-2)26-19(25)15-12-16(20(22,23)24)14-17(21)13-15/h12-14,18H,3-11H2,1-2H3
InChIKey GKQBAPMHLFQMSI-UHFFFAOYSA-N
Molecular Weight 376.436 g/mol
SMILES C1(=CC(=CC(=C1)C(F)(F)F)C(OC(CC)CCCCCCCCC)=O)F