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Diethylmalonic acid, 2-fluorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-fluorobenzyl undecyl ester
SpectraBase Compound ID GdYwLMZ4UUD
InChI InChI=1S/C25H39FO4/c1-4-7-8-9-10-11-12-13-16-19-29-23(27)25(5-2,6-3)24(28)30-20-21-17-14-15-18-22(21)26/h14-15,17-18H,4-13,16,19-20H2,1-3H3
InChIKey UFIGFFVRLMQUPG-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C25H39FO4
Exact Mass 422.283238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IAz2wq7yyr
Name Diethylmalonic acid, 2-fluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.283237895 u
Formula C25H39FO4
InChI InChI=1S/C25H39FO4/c1-4-7-8-9-10-11-12-13-16-19-29-23(27)25(5-2,6-3)24(28)30-20-21-17-14-15-18-22(21)26/h14-15,17-18H,4-13,16,19-20H2,1-3H3
InChIKey UFIGFFVRLMQUPG-UHFFFAOYSA-N
Molecular Weight 422.581 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OCC1=C(C=CC=C1)F)=O)CC