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Diethylmalonic acid, 2-fluorobenzyl octadecyl ester

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

Diethylmalonic acid, 2-fluorobenzyl octadecyl ester
SpectraBase Compound ID Eq1mC0ALdfX
InChI InChI=1S/C32H53FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-36-30(34)32(5-2,6-3)31(35)37-27-28-24-21-22-25-29(28)33/h21-22,24-25H,4-20,23,26-27H2,1-3H3
InChIKey SNBDEBKZBHFYQX-UHFFFAOYSA-N
Mol Weight 520.8 g/mol
Molecular Formula C32H53FO4
Exact Mass 520.392788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKXnmaEQqRd
Name Diethylmalonic acid, 2-fluorobenzyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.392788346 u
Formula C32H53FO4
InChI InChI=1S/C32H53FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-36-30(34)32(5-2,6-3)31(35)37-27-28-24-21-22-25-29(28)33/h21-22,24-25H,4-20,23,26-27H2,1-3H3
InChIKey SNBDEBKZBHFYQX-UHFFFAOYSA-N
Molecular Weight 520.770 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C=CC=C1)F)=O)CC