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

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Terephthalic acid, 4-fluoro-2-methoxyphenyl isobutyl ester
SpectraBase Compound ID FRXOSMCaCLd
InChI InChI=1S/C19H19FO5/c1-12(2)11-24-18(21)13-4-6-14(7-5-13)19(22)25-16-9-8-15(20)10-17(16)23-3/h4-10,12H,11H2,1-3H3
InChIKey RLHXLJIDMHPWCF-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 2HxwHt15uzS
Name Terephthalic acid, 4-fluoro-2-methoxyphenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.121651870 u
Formula C19H19FO5
InChI InChI=1S/C19H19FO5/c1-12(2)11-24-18(21)13-4-6-14(7-5-13)19(22)25-16-9-8-15(20)10-17(16)23-3/h4-10,12H,11H2,1-3H3
InChIKey RLHXLJIDMHPWCF-UHFFFAOYSA-N
Molecular Weight 346.354 g/mol
SMILES C1(=CC=C(C=C1)C(OCC(C)C)=O)C(OC1=C(C=C(C=C1)F)OC)=O