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Glutaric acid, pentadecyl 4-(trifluoromethoxy)benzyl ester
SpectraBase Compound ID BY5E9mFfqIw
InChI InChI=1S/C28H43F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-34-26(32)16-15-17-27(33)35-23-24-18-20-25(21-19-24)36-28(29,30)31/h18-21H,2-17,22-23H2,1H3
InChIKey JUYAVASXWMJJLW-UHFFFAOYSA-N
Mol Weight 516.6 g/mol
Molecular Formula C28H43F3O5
Exact Mass 516.306259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vZl7xNLKAg
Name Glutaric acid, pentadecyl 4-(trifluoromethoxy)benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.306258969 u
Formula C28H43F3O5
InChI InChI=1S/C28H43F3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-34-26(32)16-15-17-27(33)35-23-24-18-20-25(21-19-24)36-28(29,30)31/h18-21H,2-17,22-23H2,1H3
InChIKey JUYAVASXWMJJLW-UHFFFAOYSA-N
Molecular Weight 516.642 g/mol
SMILES C(OCC1=CC=C(OC(F)(F)F)C=C1)(=O)CCCC(OCCCCCCCCCCCCCCC)=O