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Phthalic acid, 3,4-difluorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-difluorobenzyl heptyl ester
SpectraBase Compound ID 8ueY2iJ1D6t
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-8-13-27-21(25)17-9-6-7-10-18(17)22(26)28-15-16-11-12-19(23)20(24)14-16/h6-7,9-12,14H,2-5,8,13,15H2,1H3
InChIKey OIOYIWDDCVFSLV-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 HeVThDBH5DO
Name Phthalic 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/c1-2-3-4-5-8-13-27-21(25)17-9-6-7-10-18(17)22(26)28-15-16-11-12-19(23)20(24)14-16/h6-7,9-12,14H,2-5,8,13,15H2,1H3
InChIKey OIOYIWDDCVFSLV-UHFFFAOYSA-N
Molecular Weight 390.427 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O