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Diethylmalonic acid, dodecyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl pentafluorobenzyl ester
SpectraBase Compound ID 4yaHZ4YuDAw
InChI InChI=1S/C26H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-34-24(32)26(5-2,6-3)25(33)35-17-18-19(27)21(29)23(31)22(30)20(18)28/h4-17H2,1-3H3
InChIKey CDTUKCGNDRXRNJ-UHFFFAOYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C26H37F5O4
Exact Mass 508.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvXg5mJLTNX
Name Diethylmalonic acid, dodecyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.261200482 u
Formula C26H37F5O4
InChI InChI=1S/C26H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-34-24(32)26(5-2,6-3)25(33)35-17-18-19(27)21(29)23(31)22(30)20(18)28/h4-17H2,1-3H3
InChIKey CDTUKCGNDRXRNJ-UHFFFAOYSA-N
Molecular Weight 508.570 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC