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Dimethylmalonic acid, pentafluorobenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, pentafluorobenzyl tetradecyl ester
SpectraBase Compound ID CXsMbetoeGJ
InChI InChI=1S/C26H37F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-34-24(32)26(2,3)25(33)35-17-18-19(27)21(29)23(31)22(30)20(18)28/h4-17H2,1-3H3
InChIKey QOIDIPHXGYCEER-UHFFFAOYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C26H37F5O4
Exact Mass 508.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TL3yM62ReD
Name Dimethylmalonic acid, pentafluorobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.261200482 u
Formula C26H37F5O4
InChI InChI=1S/C26H37F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-34-24(32)26(2,3)25(33)35-17-18-19(27)21(29)23(31)22(30)20(18)28/h4-17H2,1-3H3
InChIKey QOIDIPHXGYCEER-UHFFFAOYSA-N
Molecular Weight 508.570 g/mol
SMILES CCCCCCCCCCCCCCOC(C(C(OCC1=C(C(=C(F)C(=C1F)F)F)F)=O)(C)C)=O