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Sebacic acid, pentafluorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, pentafluorobenzyl undecyl ester
SpectraBase Compound ID 21EY908nqDX
InChI InChI=1S/C28H41F5O4/c1-2-3-4-5-6-7-10-13-16-19-36-22(34)17-14-11-8-9-12-15-18-23(35)37-20-21-24(29)26(31)28(33)27(32)25(21)30/h2-20H2,1H3
InChIKey DDRQOPHKTZYQJO-UHFFFAOYSA-N
Mol Weight 536.6 g/mol
Molecular Formula C28H41F5O4
Exact Mass 536.292501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lMWWrTL02S
Name Sebacic acid, pentafluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 536.292500611 u
Formula C28H41F5O4
InChI InChI=1S/C28H41F5O4/c1-2-3-4-5-6-7-10-13-16-19-36-22(34)17-14-11-8-9-12-15-18-23(35)37-20-21-24(29)26(31)28(33)27(32)25(21)30/h2-20H2,1H3
InChIKey DDRQOPHKTZYQJO-UHFFFAOYSA-N
Molecular Weight 536.624 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCCCCCCCCCC)=O