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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, tetradecyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID AdALd1f6xCI
InChI InChI=1S/C22H38F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-29-19(27)21(2,3)20(28)30-17-22(25,26)18(23)24/h18H,4-17H2,1-3H3
InChIKey BRYGKRVECRFXSW-UHFFFAOYSA-N
Mol Weight 442.5 g/mol
Molecular Formula C22H38F4O4
Exact Mass 442.270622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtftH6vMwsx
Name Dimethylmalonic acid, tetradecyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.270622352 u
Formula C22H38F4O4
InChI InChI=1S/C22H38F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-29-19(27)21(2,3)20(28)30-17-22(25,26)18(23)24/h18H,4-17H2,1-3H3
InChIKey BRYGKRVECRFXSW-UHFFFAOYSA-N
Molecular Weight 442.536 g/mol
SMILES C(=O)(C(C)(C)C(OCCCCCCCCCCCCCC)=O)OCC(C(F)F)(F)F