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Glutaric acid, 1-(2,6-difluorophenyl)ethyl octadecyl ester

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Glutaric acid, 1-(2,6-difluorophenyl)ethyl octadecyl ester
SpectraBase Compound ID 1E3htKVON73
InChI InChI=1S/C31H50F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-36-29(34)23-20-24-30(35)37-26(2)31-27(32)21-19-22-28(31)33/h19,21-22,26H,3-18,20,23-25H2,1-2H3
InChIKey SKZZCSUPKKOACJ-UHFFFAOYSA-N
Mol Weight 524.7 g/mol
Molecular Formula C31H50F2O4
Exact Mass 524.367716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Doajtymrvkt
Name Glutaric acid, 1-(2,6-difluorophenyl)ethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 524.367716412 u
Formula C31H50F2O4
InChI InChI=1S/C31H50F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-36-29(34)23-20-24-30(35)37-26(2)31-27(32)21-19-22-28(31)33/h19,21-22,26H,3-18,20,23-25H2,1-2H3
InChIKey SKZZCSUPKKOACJ-UHFFFAOYSA-N
Molecular Weight 524.734 g/mol
SMILES C(OC(C)C1=C(C=CC=C1F)F)(=O)CCCC(OCCCCCCCCCCCCCCCCCC)=O