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Diethylmalonic acid, 2-fluorobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, 2-fluorobenzyl hexadecyl ester
SpectraBase Compound ID Fk5k4pCY6HZ
InChI InChI=1S/C30H49FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-28(32)30(5-2,6-3)29(33)35-25-26-22-19-20-23-27(26)31/h19-20,22-23H,4-18,21,24-25H2,1-3H3
InChIKey LWHJXRRUYNYGCG-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C30H49FO4
Exact Mass 492.361488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UcaQuDqDmD
Name Diethylmalonic acid, 2-fluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.361488217 u
Formula C30H49FO4
InChI InChI=1S/C30H49FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-28(32)30(5-2,6-3)29(33)35-25-26-22-19-20-23-27(26)31/h19-20,22-23H,4-18,21,24-25H2,1-3H3
InChIKey LWHJXRRUYNYGCG-UHFFFAOYSA-N
Molecular Weight 492.716 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C=CC=C1)F)=O)CC