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Dimethylmalonic acid, octadecyl 2,2,3,3-tetrafluoropropyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, octadecyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID 480uJkjeYIe
InChI InChI=1S/C26H46F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-23(31)25(2,3)24(32)34-21-26(29,30)22(27)28/h22H,4-21H2,1-3H3
InChIKey IYMAKYJUSAXMKV-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C26H46F4O4
Exact Mass 498.333223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ0T1R52ZNr
Name Dimethylmalonic acid, octadecyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.333222609 u
Formula C26H46F4O4
InChI InChI=1S/C26H46F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-23(31)25(2,3)24(32)34-21-26(29,30)22(27)28/h22H,4-21H2,1-3H3
InChIKey IYMAKYJUSAXMKV-UHFFFAOYSA-N
Molecular Weight 498.644 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(C(=O)OCC(C(F)F)(F)F)(C)C)=O