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Diethylmalonic acid, eicosyl 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, eicosyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 8KwOvXKzGe5
InChI InChI=1S/C30H53F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-38-26(36)28(5-2,6-3)27(37)39-25-29(31,32)30(33,34)35/h4-25H2,1-3H3
InChIKey RLOJCCFPAFZPSM-UHFFFAOYSA-N
Mol Weight 572.7 g/mol
Molecular Formula C30H53F5O4
Exact Mass 572.386401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIlbD5PDczr
Name Diethylmalonic acid, eicosyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 572.386400998 u
Formula C30H53F5O4
InChI InChI=1S/C30H53F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-38-26(36)28(5-2,6-3)27(37)39-25-29(31,32)30(33,34)35/h4-25H2,1-3H3
InChIKey RLOJCCFPAFZPSM-UHFFFAOYSA-N
Molecular Weight 572.742 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O