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Glutaric acid, octadecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, octadecyl pentafluorophenyl ester
SpectraBase Compound ID ETX3NmdGF83
InChI InChI=1S/C29H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-22(35)19-18-20-23(36)38-29-27(33)25(31)24(30)26(32)28(29)34/h2-21H2,1H3
InChIKey XLROGLRXHGNLQG-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 JFzRas3ANPp
Name Glutaric acid, octadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 550.308150676 u
Formula C29H43F5O4
InChI InChI=1S/C29H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-22(35)19-18-20-23(36)38-29-27(33)25(31)24(30)26(32)28(29)34/h2-21H2,1H3
InChIKey XLROGLRXHGNLQG-UHFFFAOYSA-N
Molecular Weight 550.651 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(CCCC(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O