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

View entire compound with spectra: 1 NMR

Terephthalic acid, 4-fluoro-2-methoxyphenyl heptyl ester
SpectraBase Compound ID ABj08YTUj28
InChI InChI=1S/C22H25FO5/c1-3-4-5-6-7-14-27-21(24)16-8-10-17(11-9-16)22(25)28-19-13-12-18(23)15-20(19)26-2/h8-13,15H,3-7,14H2,1-2H3
InChIKey YMNOTWGTCUHZBA-UHFFFAOYSA-N
Mol Weight 388.44 g/mol
Molecular Formula C22H25FO5
Exact Mass 388.168602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79xXowBQ14C
Name Terephthalic acid, 4-fluoro-2-methoxyphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.168602063 u
Formula C22H25FO5
InChI InChI=1S/C22H25FO5/c1-3-4-5-6-7-14-27-21(24)16-8-10-17(11-9-16)22(25)28-19-13-12-18(23)15-20(19)26-2/h8-13,15H,3-7,14H2,1-2H3
InChIKey YMNOTWGTCUHZBA-UHFFFAOYSA-N
Molecular Weight 388.435 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(OC1=C(C=C(C=C1)F)OC)=O