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Phthalic acid, 3,5-difluorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl heptyl ester
SpectraBase Compound ID KMJIrB3JVHb
InChI InChI=1S/C21H22F2O4/c1-2-3-4-5-8-11-26-20(24)18-9-6-7-10-19(18)21(25)27-17-13-15(22)12-16(23)14-17/h6-7,9-10,12-14H,2-5,8,11H2,1H3
InChIKey GRSJNOTWMPOYQY-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 DMNTA7Kk6fF
Name Phthalic 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/c1-2-3-4-5-8-11-26-20(24)18-9-6-7-10-19(18)21(25)27-17-13-15(22)12-16(23)14-17/h6-7,9-10,12-14H,2-5,8,11H2,1H3
InChIKey GRSJNOTWMPOYQY-UHFFFAOYSA-N
Molecular Weight 376.400 g/mol
SMILES C1(=CC(=CC(=C1)OC(C1=C(C=CC=C1)C(=O)OCCCCCCC)=O)F)F