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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID AWZ29tqs4bR
InChI InChI=1S/C22H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-30-18(28)20(5-2,6-3)19(29)31-17-21(23,24)22(25,26)27/h4-17H2,1-3H3
InChIKey UGKKMRVCAVDCGC-UHFFFAOYSA-N
Mol Weight 460.5 g/mol
Molecular Formula C22H37F5O4
Exact Mass 460.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoWLt4w7kUR
Name Diethylmalonic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.261200482 u
Formula C22H37F5O4
InChI InChI=1S/C22H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-30-18(28)20(5-2,6-3)19(29)31-17-21(23,24)22(25,26)27/h4-17H2,1-3H3
InChIKey UGKKMRVCAVDCGC-UHFFFAOYSA-N
Molecular Weight 460.526 g/mol
SMILES C(C(C(OCCCCCCCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O