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Sebacic acid, dodecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl pentafluorophenyl ester
SpectraBase Compound ID CRuGrrUxx84
InChI InChI=1S/C28H41F5O4/c1-2-3-4-5-6-7-8-11-14-17-20-36-21(34)18-15-12-9-10-13-16-19-22(35)37-28-26(32)24(30)23(29)25(31)27(28)33/h2-20H2,1H3
InChIKey UBZNGALJNXLVKQ-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 HMToShZXp2A
Name Sebacic acid, dodecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 536.292500611 u
Formula C28H41F5O4
InChI InChI=1S/C28H41F5O4/c1-2-3-4-5-6-7-8-11-14-17-20-36-21(34)18-15-12-9-10-13-16-19-22(35)37-28-26(32)24(30)23(29)25(31)27(28)33/h2-20H2,1H3
InChIKey UBZNGALJNXLVKQ-UHFFFAOYSA-N
Molecular Weight 536.624 g/mol
SMILES C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CCCCCCCC(OCCCCCCCCCCCC)=O