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Terephthalic acid, 3,4-difluorobenzyl isobutyl ester

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Terephthalic acid, 3,4-difluorobenzyl isobutyl ester
SpectraBase Compound ID EIijdpC20dJ
InChI InChI=1S/C19H18F2O4/c1-12(2)10-24-18(22)14-4-6-15(7-5-14)19(23)25-11-13-3-8-16(20)17(21)9-13/h3-9,12H,10-11H2,1-2H3
InChIKey HLWWDFAUBHEVKK-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C19H18F2O4
Exact Mass 348.117315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XiIlig63L1
Name Terephthalic acid, 3,4-difluorobenzyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.117315382 u
Formula C19H18F2O4
InChI InChI=1S/C19H18F2O4/c1-12(2)10-24-18(22)14-4-6-15(7-5-14)19(23)25-11-13-3-8-16(20)17(21)9-13/h3-9,12H,10-11H2,1-2H3
InChIKey HLWWDFAUBHEVKK-UHFFFAOYSA-N
Molecular Weight 348.346 g/mol
SMILES C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCC(C)C)=O