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Terephthalic acid, 3,5-difluorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,5-difluorophenyl heptyl ester
SpectraBase Compound ID DNskWeyPIC7
InChI InChI=1S/C21H22F2O4/c1-2-3-4-5-6-11-26-20(24)15-7-9-16(10-8-15)21(25)27-19-13-17(22)12-18(23)14-19/h7-10,12-14H,2-6,11H2,1H3
InChIKey XBHUVDLEMSBPAW-UHFFFAOYSA-N
Mol Weight 376.4 g/mol
Molecular Formula C21H22F2O4
Exact Mass 376.148616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53XQFQjRbLD
Name Terephthalic acid, 3,5-difluorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.148615510 u
Formula C21H22F2O4
InChI InChI=1S/C21H22F2O4/c1-2-3-4-5-6-11-26-20(24)15-7-9-16(10-8-15)21(25)27-19-13-17(22)12-18(23)14-19/h7-10,12-14H,2-6,11H2,1H3
InChIKey XBHUVDLEMSBPAW-UHFFFAOYSA-N
Molecular Weight 376.400 g/mol
SMILES CCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC(=CC(=C1)F)F