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

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Glutaric acid, dodecyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID 2b3rT9KzQgQ
InChI InChI=1S/C25H37F3O4/c1-2-3-4-5-6-7-8-9-10-14-20-31-22(29)18-15-19-23(30)32-24(25(26,27)28)21-16-12-11-13-17-21/h11-13,16-17,24H,2-10,14-15,18-20H2,1H3
InChIKey HJVYJHYNAVNQFZ-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C25H37F3O4
Exact Mass 458.264394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RbHygmXAvX
Name Glutaric acid, dodecyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.264394156 u
Formula C25H37F3O4
InChI InChI=1S/C25H37F3O4/c1-2-3-4-5-6-7-8-9-10-14-20-31-22(29)18-15-19-23(30)32-24(25(26,27)28)21-16-12-11-13-17-21/h11-13,16-17,24H,2-10,14-15,18-20H2,1H3
InChIKey HJVYJHYNAVNQFZ-UHFFFAOYSA-N
Molecular Weight 458.562 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCCCC)=O