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Glutaric acid, 2-ethylhexyl 2-bromo-4-fluorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-ethylhexyl 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID 6O9yzyyM7As
InChI InChI=1S/C19H26BrFO4/c1-3-5-7-14(4-2)13-24-18(22)8-6-9-19(23)25-17-11-10-15(21)12-16(17)20/h10-12,14H,3-9,13H2,1-2H3
InChIKey XVOUPLFDTFLFAW-UHFFFAOYSA-N
Mol Weight 417.32 g/mol
Molecular Formula C19H26BrFO4
Exact Mass 416.09985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCwjxo3XyBl
Name Glutaric acid, 2-ethylhexyl 2-bromo-4-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.099850476 u
Formula C19H26BrFO4
InChI InChI=1S/C19H26BrFO4/c1-3-5-7-14(4-2)13-24-18(22)8-6-9-19(23)25-17-11-10-15(21)12-16(17)20/h10-12,14H,3-9,13H2,1-2H3
InChIKey XVOUPLFDTFLFAW-UHFFFAOYSA-N
Molecular Weight 417.315 g/mol
SMILES C(CCC(OCC(CC)CCCC)=O)C(OC=1C(=CC(=CC1)F)Br)=O