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

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Isophthalic acid, 2-bromo-4-fluorophenyl pentyl ester
SpectraBase Compound ID EBKodOju4pc
InChI InChI=1S/C19H18BrFO4/c1-2-3-4-10-24-18(22)13-6-5-7-14(11-13)19(23)25-17-9-8-15(21)12-16(17)20/h5-9,11-12H,2-4,10H2,1H3
InChIKey VRGOEGONJGYWCG-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 28YVp2sdymO
Name Isophthalic 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/c1-2-3-4-10-24-18(22)13-6-5-7-14(11-13)19(23)25-17-9-8-15(21)12-16(17)20/h5-9,11-12H,2-4,10H2,1H3
InChIKey VRGOEGONJGYWCG-UHFFFAOYSA-N
Molecular Weight 409.251 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCC)=O)=O)=C(C=C1F)Br