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Succinic acid, eicosyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, eicosyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID B9q2FWP92ii
InChI InChI=1S/C32H49F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-40-25(38)21-22-26(39)41-24(2)27-28(33)30(35)32(37)31(36)29(27)34/h24H,3-23H2,1-2H3
InChIKey DYZRQOXOKXXGOL-UHFFFAOYSA-N
Mol Weight 592.7 g/mol
Molecular Formula C32H49F5O4
Exact Mass 592.355101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xIdDPdpMBx
Name Succinic acid, eicosyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 592.355100869 u
Formula C32H49F5O4
InChI InChI=1S/C32H49F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-40-25(38)21-22-26(39)41-24(2)27-28(33)30(35)32(37)31(36)29(27)34/h24H,3-23H2,1-2H3
InChIKey DYZRQOXOKXXGOL-UHFFFAOYSA-N
Molecular Weight 592.732 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCCCCCCCCCCCCCCCCCC)=O)C)F)F)F