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2,6-Difluorobenzoic acid, 4-pentadecyl ester
SpectraBase Compound ID FNGhx7kaOgH
InChI InChI=1S/C22H34F2O2/c1-3-5-6-7-8-9-10-11-12-15-18(14-4-2)26-22(25)21-19(23)16-13-17-20(21)24/h13,16-18H,3-12,14-15H2,1-2H3
InChIKey NXQWBEDRDVGTFD-UHFFFAOYSA-N
Mol Weight 368.5 g/mol
Molecular Formula C22H34F2O2
Exact Mass 368.252687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dbkaz2KeHrM
Name 2,6-Difluorobenzoic acid, 4-pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.252686659 u
Formula C22H34F2O2
InChI InChI=1S/C22H34F2O2/c1-3-5-6-7-8-9-10-11-12-15-18(14-4-2)26-22(25)21-19(23)16-13-17-20(21)24/h13,16-18H,3-12,14-15H2,1-2H3
InChIKey NXQWBEDRDVGTFD-UHFFFAOYSA-N
Molecular Weight 368.509 g/mol
SMILES C1=CC=C(C(=C1F)C(OC(CCCCCCCCCCC)CCC)=O)F