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Succinic acid, hexadecyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, hexadecyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 6W6KHkIM4Pl
InChI InChI=1S/C28H41F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-21(34)17-18-22(35)37-20(2)23-24(29)26(31)28(33)27(32)25(23)30/h20H,3-19H2,1-2H3
InChIKey SOUYAIKXGNGDLP-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 A1ZmYMnY8aT
Name Succinic acid, hexadecyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 536.292500611 u
Formula C28H41F5O4
InChI InChI=1S/C28H41F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-21(34)17-18-22(35)37-20(2)23-24(29)26(31)28(33)27(32)25(23)30/h20H,3-19H2,1-2H3
InChIKey SOUYAIKXGNGDLP-UHFFFAOYSA-N
Molecular Weight 536.624 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCCCCCCCCCCCCCC)=O)C)F)F)F