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Diethylmalonic acid, dodecyl 2-fluorobenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 2-fluorobenzyl ester
SpectraBase Compound ID JSjR7kpD1y8
InChI InChI=1S/C26H41FO4/c1-4-7-8-9-10-11-12-13-14-17-20-30-24(28)26(5-2,6-3)25(29)31-21-22-18-15-16-19-23(22)27/h15-16,18-19H,4-14,17,20-21H2,1-3H3
InChIKey KQPCAIXCJDOMQE-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H41FO4
Exact Mass 436.298888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUeGqFwjCnF
Name Diethylmalonic acid, dodecyl 2-fluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.298887959 u
Formula C26H41FO4
InChI InChI=1S/C26H41FO4/c1-4-7-8-9-10-11-12-13-14-17-20-30-24(28)26(5-2,6-3)25(29)31-21-22-18-15-16-19-23(22)27/h15-16,18-19H,4-14,17,20-21H2,1-3H3
InChIKey KQPCAIXCJDOMQE-UHFFFAOYSA-N
Molecular Weight 436.608 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OCC1=C(C=CC=C1)F)=O)CC