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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tridecyl ester
SpectraBase Compound ID FuurLefyFTC
InChI InChI=1S/C21H35F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-29-17(27)19(2,3)18(28)30-16-20(22,23)21(24,25)26/h4-16H2,1-3H3
InChIKey CJGFSRPDNZCFTQ-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C21H35F5O4
Exact Mass 446.24555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hrfa45ND1Mk
Name Dimethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.245550418 u
Formula C21H35F5O4
InChI InChI=1S/C21H35F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-29-17(27)19(2,3)18(28)30-16-20(22,23)21(24,25)26/h4-16H2,1-3H3
InChIKey CJGFSRPDNZCFTQ-UHFFFAOYSA-N
Molecular Weight 446.499 g/mol
SMILES CCCCCCCCCCCCCOC(C(C(=O)OCC(C(F)(F)F)(F)F)(C)C)=O