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3,4-Difluorobenzoic acid, eicosyl ester

View entire compound with spectra: 1 NMR

3,4-Difluorobenzoic acid, eicosyl ester
SpectraBase Compound ID 2bKoIU58tMP
InChI InChI=1S/C27H44F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-27(30)24-20-21-25(28)26(29)23-24/h20-21,23H,2-19,22H2,1H3
InChIKey HURGPMGFUNYSJH-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C27H44F2O2
Exact Mass 438.330937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EerTx2RQ5FC
Name 3,4-Difluorobenzoic acid, eicosyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.330936981 u
Formula C27H44F2O2
InChI InChI=1S/C27H44F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-27(30)24-20-21-25(28)26(29)23-24/h20-21,23H,2-19,22H2,1H3
InChIKey HURGPMGFUNYSJH-UHFFFAOYSA-N
Molecular Weight 438.644 g/mol
SMILES C(CCCCCCCCCOC(C1=CC(=C(C=C1)F)F)=O)CCCCCCCCCC