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Pimelic acid, nonyl pentafluorobenzyl ester

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Pimelic acid, nonyl pentafluorobenzyl ester
SpectraBase Compound ID GBWlpzIPhBT
InChI InChI=1S/C23H31F5O4/c1-2-3-4-5-6-7-11-14-31-17(29)12-9-8-10-13-18(30)32-15-16-19(24)21(26)23(28)22(27)20(16)25/h2-15H2,1H3
InChIKey HFBQOEQUJOFGJR-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C23H31F5O4
Exact Mass 466.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RKnaqvOf5Q
Name Pimelic acid, nonyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.214250289 u
Formula C23H31F5O4
InChI InChI=1S/C23H31F5O4/c1-2-3-4-5-6-7-11-14-31-17(29)12-9-8-10-13-18(30)32-15-16-19(24)21(26)23(28)22(27)20(16)25/h2-15H2,1H3
InChIKey HFBQOEQUJOFGJR-UHFFFAOYSA-N
Molecular Weight 466.489 g/mol
SMILES C(OCC1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCCCC(OCCCCCCCCC)=O