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2,6-Difluorobenzoic acid, 2-tridecyl ester
SpectraBase Compound ID GynjdZE41Fp
InChI InChI=1S/C20H30F2O2/c1-3-4-5-6-7-8-9-10-11-13-16(2)24-20(23)19-17(21)14-12-15-18(19)22/h12,14-16H,3-11,13H2,1-2H3
InChIKey YTFAOWZEWLLYEE-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C20H30F2O2
Exact Mass 340.221387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TFH3K293yH
Name 2,6-Difluorobenzoic acid, 2-tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.221386530 u
Formula C20H30F2O2
InChI InChI=1S/C20H30F2O2/c1-3-4-5-6-7-8-9-10-11-13-16(2)24-20(23)19-17(21)14-12-15-18(19)22/h12,14-16H,3-11,13H2,1-2H3
InChIKey YTFAOWZEWLLYEE-UHFFFAOYSA-N
Molecular Weight 340.455 g/mol
SMILES C1=CC(=C(C(=C1)F)C(OC(C)CCCCCCCCCCC)=O)F