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Diethylmalonic acid, 2-fluorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-fluorophenyl hexadecyl ester
SpectraBase Compound ID 3OTBgqEo6PC
InChI InChI=1S/C29H47FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-27(31)29(5-2,6-3)28(32)34-26-23-20-19-22-25(26)30/h19-20,22-23H,4-18,21,24H2,1-3H3
InChIKey MFWJPWLMTCLSKL-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C29H47FO4
Exact Mass 478.345838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tIMjfWYXuq
Name Diethylmalonic acid, 2-fluorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.345838152 u
Formula C29H47FO4
InChI InChI=1S/C29H47FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-27(31)29(5-2,6-3)28(32)34-26-23-20-19-22-25(26)30/h19-20,22-23H,4-18,21,24H2,1-3H3
InChIKey MFWJPWLMTCLSKL-UHFFFAOYSA-N
Molecular Weight 478.689 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC