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Dimethylmalonic acid, dodecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, dodecyl pentafluorophenyl ester
SpectraBase Compound ID LbOiKNlHZvh
InChI InChI=1S/C23H31F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-31-21(29)23(2,3)22(30)32-20-18(27)16(25)15(24)17(26)19(20)28/h4-14H2,1-3H3
InChIKey RDJAMWRLXBVZKG-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C23H31F5O4
Exact Mass 466.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfYKXDEduWv
Name Dimethylmalonic acid, dodecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.214250289 u
Formula C23H31F5O4
InChI InChI=1S/C23H31F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-31-21(29)23(2,3)22(30)32-20-18(27)16(25)15(24)17(26)19(20)28/h4-14H2,1-3H3
InChIKey RDJAMWRLXBVZKG-UHFFFAOYSA-N
Molecular Weight 466.489 g/mol
SMILES CCCCCCCCCCCCOC(C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C)=O