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Phthalic acid, 2,5-difluorobenzyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-difluorobenzyl hexyl ester
SpectraBase Compound ID 8IQlr3AAMtG
InChI InChI=1S/C21H22F2O4/c1-2-3-4-7-12-26-20(24)17-8-5-6-9-18(17)21(25)27-14-15-13-16(22)10-11-19(15)23/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChIKey REJTZWYQXLJIFS-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 9lk7syv9Or5
Name Phthalic acid, 2,5-difluorobenzyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.148615510 u
Formula C21H22F2O4
InChI InChI=1S/C21H22F2O4/c1-2-3-4-7-12-26-20(24)17-8-5-6-9-18(17)21(25)27-14-15-13-16(22)10-11-19(15)23/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChIKey REJTZWYQXLJIFS-UHFFFAOYSA-N
Molecular Weight 376.400 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCC)=O