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Glutaric acid, octadecyl 1-phenyl-2,2,2-trifluoroethyl ester

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Glutaric acid, octadecyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID 64cYJpWofPV
InChI InChI=1S/C31H49F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-37-28(35)24-21-25-29(36)38-30(31(32,33)34)27-22-18-17-19-23-27/h17-19,22-23,30H,2-16,20-21,24-26H2,1H3
InChIKey RLQDPNARUAYDDE-UHFFFAOYSA-N
Mol Weight 542.7 g/mol
Molecular Formula C31H49F3O4
Exact Mass 542.358295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbYKvYmBuZm
Name Glutaric acid, octadecyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 542.358294543 u
Formula C31H49F3O4
InChI InChI=1S/C31H49F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-37-28(35)24-21-25-29(36)38-30(31(32,33)34)27-22-18-17-19-23-27/h17-19,22-23,30H,2-16,20-21,24-26H2,1H3
InChIKey RLQDPNARUAYDDE-UHFFFAOYSA-N
Molecular Weight 542.724 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCCCCCCCCCC)=O