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Diethylmalonic acid, 4-fluoro-2-methoxyphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-fluoro-2-methoxyphenyl pentadecyl ester
SpectraBase Compound ID BeXLvIHpMs4
InChI InChI=1S/C29H47FO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(31)29(6-2,7-3)28(32)35-25-21-20-24(30)23-26(25)33-4/h20-21,23H,5-19,22H2,1-4H3
InChIKey VBBMTMAJXSWKNZ-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C29H47FO5
Exact Mass 494.340753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dgxsl3WjVjD
Name Diethylmalonic acid, 4-fluoro-2-methoxyphenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.340752771 u
Formula C29H47FO5
InChI InChI=1S/C29H47FO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(31)29(6-2,7-3)28(32)35-25-21-20-24(30)23-26(25)33-4/h20-21,23H,5-19,22H2,1-4H3
InChIKey VBBMTMAJXSWKNZ-UHFFFAOYSA-N
Molecular Weight 494.688 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O