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Glutaric acid, pentadecyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID EY6HHpr6lsw
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-34-25(32)21-18-22-26(33)35-27(28(29,30)31)24-19-15-14-16-20-24/h14-16,19-20,27H,2-13,17-18,21-23H2,1H3
InChIKey CWNDJNUUIDNUQO-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 2682R2VbQ6L
Name Glutaric acid, pentadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-34-25(32)21-18-22-26(33)35-27(28(29,30)31)24-19-15-14-16-20-24/h14-16,19-20,27H,2-13,17-18,21-23H2,1H3
InChIKey CWNDJNUUIDNUQO-UHFFFAOYSA-N
Molecular Weight 500.643 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCCCCCCC)=O