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

View entire compound with spectra: 1 NMR

Diglycolic acid, 2-bromo-4-fluorophenyl decyl ester
SpectraBase Compound ID 3s89XB7jm4X
InChI InChI=1S/C20H28BrFO5/c1-2-3-4-5-6-7-8-9-12-26-19(23)14-25-15-20(24)27-18-11-10-16(22)13-17(18)21/h10-11,13H,2-9,12,14-15H2,1H3
InChIKey SCCPKCZXBQMRNR-UHFFFAOYSA-N
Mol Weight 447.34 g/mol
Molecular Formula C20H28BrFO5
Exact Mass 446.110415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EWCWAYTSVa
Name Diglycolic acid, 2-bromo-4-fluorophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.110415160 u
Formula C20H28BrFO5
InChI InChI=1S/C20H28BrFO5/c1-2-3-4-5-6-7-8-9-12-26-19(23)14-25-15-20(24)27-18-11-10-16(22)13-17(18)21/h10-11,13H,2-9,12,14-15H2,1H3
InChIKey SCCPKCZXBQMRNR-UHFFFAOYSA-N
Molecular Weight 447.341 g/mol
SMILES C(COCC(=O)OCCCCCCCCCC)(=O)OC1=C(C=C(C=C1)F)Br