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Diethylmalonic acid, decyl 3-fluorophenyl ester

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Diethylmalonic acid, decyl 3-fluorophenyl ester
SpectraBase Compound ID AWiqSo5IQme
InChI InChI=1S/C23H35FO4/c1-4-7-8-9-10-11-12-13-17-27-21(25)23(5-2,6-3)22(26)28-20-16-14-15-19(24)18-20/h14-16,18H,4-13,17H2,1-3H3
InChIKey XRPIEXBLDQKNKN-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C23H35FO4
Exact Mass 394.251938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jq6gLHUp9ka
Name Diethylmalonic acid, decyl 3-fluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.251937766 u
Formula C23H35FO4
InChI InChI=1S/C23H35FO4/c1-4-7-8-9-10-11-12-13-17-27-21(25)23(5-2,6-3)22(26)28-20-16-14-15-19(24)18-20/h14-16,18H,4-13,17H2,1-3H3
InChIKey XRPIEXBLDQKNKN-UHFFFAOYSA-N
Molecular Weight 394.527 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)F)=O)CC