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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-bromo-4-fluorophenyl pentyl ester
SpectraBase Compound ID ITtbCrgJchK
InChI InChI=1S/C19H18BrFO4/c1-2-3-6-11-24-18(22)14-7-4-5-8-15(14)19(23)25-17-10-9-13(21)12-16(17)20/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKey PNQXILMQSARIOS-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 BNvcXsr6seX
Name Phthalic 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/c1-2-3-6-11-24-18(22)14-7-4-5-8-15(14)19(23)25-17-10-9-13(21)12-16(17)20/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKey PNQXILMQSARIOS-UHFFFAOYSA-N
Molecular Weight 409.251 g/mol
SMILES CCCCCOC(C1=CC=CC=C1C(OC=1C=CC(=CC1Br)F)=O)=O