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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-fluorophenyl)ethyl octyl ester
SpectraBase Compound ID L9UuY7n9Thl
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-11-17-28-23(26)20-13-8-9-14-21(20)24(27)29-18-16-19-12-7-10-15-22(19)25/h7-10,12-15H,2-6,11,16-18H2,1H3
InChIKey KJPHCMCEALOOHO-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C24H29FO4
Exact Mass 400.204988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2f6WpiLg7bI
Name Phthalic acid, 2-(2-fluorophenyl)ethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.204987573 u
Formula C24H29FO4
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-11-17-28-23(26)20-13-8-9-14-21(20)24(27)29-18-16-19-12-7-10-15-22(19)25/h7-10,12-15H,2-6,11,16-18H2,1H3
InChIKey KJPHCMCEALOOHO-UHFFFAOYSA-N
Molecular Weight 400.490 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1F)=O)(OCCCCCCCC)=O