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

View entire compound with spectra: 1 NMR

Terephthalic acid, butyl 4-fluoro-2-methoxyphenyl ester
SpectraBase Compound ID F32b3lxWL3B
InChI InChI=1S/C19H19FO5/c1-3-4-11-24-18(21)13-5-7-14(8-6-13)19(22)25-16-10-9-15(20)12-17(16)23-2/h5-10,12H,3-4,11H2,1-2H3
InChIKey OWPZJHVFZZTKDM-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C19H19FO5
Exact Mass 346.121652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tsXvUSsIiY
Name Terephthalic acid, butyl 4-fluoro-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.121651870 u
Formula C19H19FO5
InChI InChI=1S/C19H19FO5/c1-3-4-11-24-18(21)13-5-7-14(8-6-13)19(22)25-16-10-9-15(20)12-17(16)23-2/h5-10,12H,3-4,11H2,1-2H3
InChIKey OWPZJHVFZZTKDM-UHFFFAOYSA-N
Molecular Weight 346.354 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCC)=O)C(OC1=C(C=C(C=C1)F)OC)=O