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Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester

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Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester
SpectraBase Compound ID 5yl2ir4L1wS
InChI InChI=1S/C26H42F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-37-21(35)23(5-2,6-3)22(36)38-19-24(29,30)26(33,34)25(31,32)20(27)28/h20H,4-19H2,1-3H3
InChIKey BTYKQXKBPXXPGW-UHFFFAOYSA-N
Mol Weight 570.6 g/mol
Molecular Formula C26H42F8O4
Exact Mass 570.295535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xMMgSDjVXZ
Name Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 570.295535132 u
Formula C26H42F8O4
InChI InChI=1S/C26H42F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-37-21(35)23(5-2,6-3)22(36)38-19-24(29,30)26(33,34)25(31,32)20(27)28/h20H,4-19H2,1-3H3
InChIKey BTYKQXKBPXXPGW-UHFFFAOYSA-N
Molecular Weight 570.605 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O