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Terephthalic acid, 4-fluoro-2-methoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 4-fluoro-2-methoxyphenyl octyl ester
SpectraBase Compound ID 5GcwsigJQUR
InChI InChI=1S/C23H27FO5/c1-3-4-5-6-7-8-15-28-22(25)17-9-11-18(12-10-17)23(26)29-20-14-13-19(24)16-21(20)27-2/h9-14,16H,3-8,15H2,1-2H3
InChIKey QRRIUVLCRNOOKN-UHFFFAOYSA-N
Mol Weight 402.46 g/mol
Molecular Formula C23H27FO5
Exact Mass 402.184252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WzA9FpjJbB
Name Terephthalic acid, 4-fluoro-2-methoxyphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.184252127 u
Formula C23H27FO5
InChI InChI=1S/C23H27FO5/c1-3-4-5-6-7-8-15-28-22(25)17-9-11-18(12-10-17)23(26)29-20-14-13-19(24)16-21(20)27-2/h9-14,16H,3-8,15H2,1-2H3
InChIKey QRRIUVLCRNOOKN-UHFFFAOYSA-N
Molecular Weight 402.462 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCC)=O)C(OC1=C(C=C(C=C1)F)OC)=O