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Dimethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID HEUOe4BFneC
InChI InChI=1S/C25H43F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33-21(31)23(2,3)22(32)34-20-24(26,27)25(28,29)30/h4-20H2,1-3H3
InChIKey CJKDHDFVEAGYEU-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C25H43F5O4
Exact Mass 502.308151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCPLkrPZyws
Name Dimethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.308150676 u
Formula C25H43F5O4
InChI InChI=1S/C25H43F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33-21(31)23(2,3)22(32)34-20-24(26,27)25(28,29)30/h4-20H2,1-3H3
InChIKey CJKDHDFVEAGYEU-UHFFFAOYSA-N
Molecular Weight 502.607 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(C(=O)OCC(C(F)(F)F)(F)F)(C)C)=O