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Dimethylmalonic acid, octadecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, octadecyl pentafluorophenyl ester
SpectraBase Compound ID Al8fIISjqOh
InChI InChI=1S/C29H43F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-27(35)29(2,3)28(36)38-26-24(33)22(31)21(30)23(32)25(26)34/h4-20H2,1-3H3
InChIKey VJWAHJGHEZTVSD-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 2TdZOaRcIOj
Name Dimethylmalonic acid, octadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 550.308150676 u
Formula C29H43F5O4
InChI InChI=1S/C29H43F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-27(35)29(2,3)28(36)38-26-24(33)22(31)21(30)23(32)25(26)34/h4-20H2,1-3H3
InChIKey VJWAHJGHEZTVSD-UHFFFAOYSA-N
Molecular Weight 550.651 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C)=O