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Diethylmalonic acid, decyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl pentafluorobenzyl ester
SpectraBase Compound ID 8MyaJx6r9Xb
InChI InChI=1S/C24H33F5O4/c1-4-7-8-9-10-11-12-13-14-32-22(30)24(5-2,6-3)23(31)33-15-16-17(25)19(27)21(29)20(28)18(16)26/h4-15H2,1-3H3
InChIKey IHORQARQPXXXSU-UHFFFAOYSA-N
Mol Weight 480.5 g/mol
Molecular Formula C24H33F5O4
Exact Mass 480.2299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HheJPcC5DTv
Name Diethylmalonic acid, decyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.229900354 u
Formula C24H33F5O4
InChI InChI=1S/C24H33F5O4/c1-4-7-8-9-10-11-12-13-14-32-22(30)24(5-2,6-3)23(31)33-15-16-17(25)19(27)21(29)20(28)18(16)26/h4-15H2,1-3H3
InChIKey IHORQARQPXXXSU-UHFFFAOYSA-N
Molecular Weight 480.516 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC