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Succinic acid, hexadecyl 1-phenyl-2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, hexadecyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID EbONQpIUWIN
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-34-25(32)21-22-26(33)35-27(28(29,30)31)24-19-16-15-17-20-24/h15-17,19-20,27H,2-14,18,21-23H2,1H3
InChIKey FKPMNGPOMUMOEC-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C28H43F3O4
Exact Mass 500.311344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7YQrNfjKIu
Name Succinic acid, hexadecyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.311344350 u
Formula C28H43F3O4
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-34-25(32)21-22-26(33)35-27(28(29,30)31)24-19-16-15-17-20-24/h15-17,19-20,27H,2-14,18,21-23H2,1H3
InChIKey FKPMNGPOMUMOEC-UHFFFAOYSA-N
Molecular Weight 500.643 g/mol
SMILES C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCCCCCCCCC)=O