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Glutaric acid, decyl 2-(2-fluorophenyl)ethyl ester
SpectraBase Compound ID Z8cCyPZDg8
InChI InChI=1S/C23H35FO4/c1-2-3-4-5-6-7-8-11-18-27-22(25)15-12-16-23(26)28-19-17-20-13-9-10-14-21(20)24/h9-10,13-14H,2-8,11-12,15-19H2,1H3
InChIKey RYYLIEQQADIAIN-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C23H35FO4
Exact Mass 394.251938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yOa3M1fWq3
Name Glutaric acid, decyl 2-(2-fluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.251937766 u
Formula C23H35FO4
InChI InChI=1S/C23H35FO4/c1-2-3-4-5-6-7-8-11-18-27-22(25)15-12-16-23(26)28-19-17-20-13-9-10-14-21(20)24/h9-10,13-14H,2-8,11-12,15-19H2,1H3
InChIKey RYYLIEQQADIAIN-UHFFFAOYSA-N
Molecular Weight 394.527 g/mol
SMILES C(OCCC1=C(C=CC=C1)F)(=O)CCCC(OCCCCCCCCCC)=O