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Sebacic acid, decyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID 7u9m5XCDZDi
InChI InChI=1S/C28H41F5O5/c1-2-3-4-5-6-9-12-15-18-36-21(34)16-13-10-7-8-11-14-17-22(35)37-19-20-38-28-26(32)24(30)23(29)25(31)27(28)33/h2-20H2,1H3
InChIKey JIXLWAZPDVMPKO-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C28H41F5O5
Exact Mass 552.287415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWmTnZhjVdV
Name Sebacic acid, decyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 552.287415230 u
Formula C28H41F5O5
InChI InChI=1S/C28H41F5O5/c1-2-3-4-5-6-9-12-15-18-36-21(34)16-13-10-7-8-11-14-17-22(35)37-19-20-38-28-26(32)24(30)23(29)25(31)27(28)33/h2-20H2,1H3
InChIKey JIXLWAZPDVMPKO-UHFFFAOYSA-N
Molecular Weight 552.623 g/mol
SMILES C(CCCCCCCC(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCCCCCCCCC)=O