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Succinic acid, 1-(pentafluorophenyl)ethyl undecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 1-(pentafluorophenyl)ethyl undecyl ester
SpectraBase Compound ID 3Or9Za8e7A9
InChI InChI=1S/C23H31F5O4/c1-3-4-5-6-7-8-9-10-11-14-31-16(29)12-13-17(30)32-15(2)18-19(24)21(26)23(28)22(27)20(18)25/h15H,3-14H2,1-2H3
InChIKey BQIYFYHWPAYYGR-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 6i7blh3yD7x
Name Succinic acid, 1-(pentafluorophenyl)ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.214250289 u
Formula C23H31F5O4
InChI InChI=1S/C23H31F5O4/c1-3-4-5-6-7-8-9-10-11-14-31-16(29)12-13-17(30)32-15(2)18-19(24)21(26)23(28)22(27)20(18)25/h15H,3-14H2,1-2H3
InChIKey BQIYFYHWPAYYGR-UHFFFAOYSA-N
Molecular Weight 466.489 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCCCCCCCCC)=O)C)F)F)F