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Diglycolic acid, 2-bromo-4-fluorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Diglycolic acid, 2-bromo-4-fluorophenyl nonyl ester
SpectraBase Compound ID HZUsiDytMf5
InChI InChI=1S/C19H26BrFO5/c1-2-3-4-5-6-7-8-11-25-18(22)13-24-14-19(23)26-17-10-9-15(21)12-16(17)20/h9-10,12H,2-8,11,13-14H2,1H3
InChIKey JQBIAICMGNDDRF-UHFFFAOYSA-N
Mol Weight 433.31 g/mol
Molecular Formula C19H26BrFO5
Exact Mass 432.094765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhyaJ4sZkS6
Name Diglycolic acid, 2-bromo-4-fluorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.094765095 u
Formula C19H26BrFO5
InChI InChI=1S/C19H26BrFO5/c1-2-3-4-5-6-7-8-11-25-18(22)13-24-14-19(23)26-17-10-9-15(21)12-16(17)20/h9-10,12H,2-8,11,13-14H2,1H3
InChIKey JQBIAICMGNDDRF-UHFFFAOYSA-N
Molecular Weight 433.314 g/mol
SMILES C(COCC(=O)OCCCCCCCCC)(=O)OC1=C(C=C(C=C1)F)Br