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Terephthalic acid, 3,4-difluorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,4-difluorobenzyl heptyl ester
SpectraBase Compound ID 9SVlynPLWfQ
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-6-13-27-21(25)17-8-10-18(11-9-17)22(26)28-15-16-7-12-19(23)20(24)14-16/h7-12,14H,2-6,13,15H2,1H3
InChIKey WGACEUOYCMBZPH-UHFFFAOYSA-N
Mol Weight 390.43 g/mol
Molecular Formula C22H24F2O4
Exact Mass 390.164266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFRsETQ2hDl
Name Terephthalic acid, 3,4-difluorobenzyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.164265575 u
Formula C22H24F2O4
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-6-13-27-21(25)17-8-10-18(11-9-17)22(26)28-15-16-7-12-19(23)20(24)14-16/h7-12,14H,2-6,13,15H2,1H3
InChIKey WGACEUOYCMBZPH-UHFFFAOYSA-N
Molecular Weight 390.427 g/mol
SMILES C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCCCCCCC)=O