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Sebacic acid, pentafluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, pentafluorophenyl undecyl ester
SpectraBase Compound ID DSCOOn1ueDa
InChI InChI=1S/C27H39F5O4/c1-2-3-4-5-6-7-10-13-16-19-35-20(33)17-14-11-8-9-12-15-18-21(34)36-27-25(31)23(29)22(28)24(30)26(27)32/h2-19H2,1H3
InChIKey ZUBNMJQFZHBVEE-UHFFFAOYSA-N
Mol Weight 522.6 g/mol
Molecular Formula C27H39F5O4
Exact Mass 522.276851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HtnrRNHfPW
Name Sebacic acid, pentafluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 522.276850547 u
Formula C27H39F5O4
InChI InChI=1S/C27H39F5O4/c1-2-3-4-5-6-7-10-13-16-19-35-20(33)17-14-11-8-9-12-15-18-21(34)36-27-25(31)23(29)22(28)24(30)26(27)32/h2-19H2,1H3
InChIKey ZUBNMJQFZHBVEE-UHFFFAOYSA-N
Molecular Weight 522.597 g/mol
SMILES C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CCCCCCCC(OCCCCCCCCCCC)=O