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Phthalic acid, 2-(2-fluorophenyl)ethyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-fluorophenyl)ethyl heptyl ester
SpectraBase Compound ID DEtqJiQlOaR
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-10-16-27-22(25)19-12-7-8-13-20(19)23(26)28-17-15-18-11-6-9-14-21(18)24/h6-9,11-14H,2-5,10,15-17H2,1H3
InChIKey VNWFLCBEYWGMCC-UHFFFAOYSA-N
Mol Weight 386.46 g/mol
Molecular Formula C23H27FO4
Exact Mass 386.189338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YTZHC2ZFHN
Name Phthalic acid, 2-(2-fluorophenyl)ethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.189337508 u
Formula C23H27FO4
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-10-16-27-22(25)19-12-7-8-13-20(19)23(26)28-17-15-18-11-6-9-14-21(18)24/h6-9,11-14H,2-5,10,15-17H2,1H3
InChIKey VNWFLCBEYWGMCC-UHFFFAOYSA-N
Molecular Weight 386.463 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1F)=O)(OCCCCCCC)=O