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Succinic acid, heptadecyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, heptadecyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 89ZgXamuxZ5
InChI InChI=1S/C29H43F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-37-22(35)18-19-23(36)38-21(2)24-25(30)27(32)29(34)28(33)26(24)31/h21H,3-20H2,1-2H3
InChIKey QOYBSSYEUIGKAN-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C29H43F5O4
Exact Mass 550.308151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7tXZjsKdmP
Name Succinic acid, heptadecyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 550.308150676 u
Formula C29H43F5O4
InChI InChI=1S/C29H43F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-37-22(35)18-19-23(36)38-21(2)24-25(30)27(32)29(34)28(33)26(24)31/h21H,3-20H2,1-2H3
InChIKey QOYBSSYEUIGKAN-UHFFFAOYSA-N
Molecular Weight 550.651 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCCCCCCCCCCCCCCC)=O)C)F)F)F