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Glutaric acid, decyl 1-(2,6-difluorophenyl)ethyl ester
SpectraBase Compound ID JJGClCwnDNQ
InChI InChI=1S/C23H34F2O4/c1-3-4-5-6-7-8-9-10-17-28-21(26)15-12-16-22(27)29-18(2)23-19(24)13-11-14-20(23)25/h11,13-14,18H,3-10,12,15-17H2,1-2H3
InChIKey GQWHSIBEFFMYRW-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C23H34F2O4
Exact Mass 412.242516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B346WjW7KRe
Name Glutaric acid, decyl 1-(2,6-difluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.242515897 u
Formula C23H34F2O4
InChI InChI=1S/C23H34F2O4/c1-3-4-5-6-7-8-9-10-17-28-21(26)15-12-16-22(27)29-18(2)23-19(24)13-11-14-20(23)25/h11,13-14,18H,3-10,12,15-17H2,1-2H3
InChIKey GQWHSIBEFFMYRW-UHFFFAOYSA-N
Molecular Weight 412.518 g/mol
SMILES C(OC(C)C1=C(C=CC=C1F)F)(=O)CCCC(OCCCCCCCCCC)=O