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Terephthalic acid, 2-bromo-4-fluorophenyl pentyl ester

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Terephthalic acid, 2-bromo-4-fluorophenyl pentyl ester
SpectraBase Compound ID KfCys0bcHO8
InChI InChI=1S/C19H18BrFO4/c1-2-3-4-11-24-18(22)13-5-7-14(8-6-13)19(23)25-17-10-9-15(21)12-16(17)20/h5-10,12H,2-4,11H2,1H3
InChIKey RRCZPYREFLDTED-UHFFFAOYSA-N
Mol Weight 409.25 g/mol
Molecular Formula C19H18BrFO4
Exact Mass 408.03725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gLkHaAr06t
Name Terephthalic acid, 2-bromo-4-fluorophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.037250219 u
Formula C19H18BrFO4
InChI InChI=1S/C19H18BrFO4/c1-2-3-4-11-24-18(22)13-5-7-14(8-6-13)19(23)25-17-10-9-15(21)12-16(17)20/h5-10,12H,2-4,11H2,1H3
InChIKey RRCZPYREFLDTED-UHFFFAOYSA-N
Molecular Weight 409.251 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCC)=O)C(OC1=CC=C(C=C1Br)F)=O