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Diethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 2mbpYEcASwn
InChI InChI=1S/C32H54O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-30(33)32(7-2,8-3)31(34)37-29-25-22-21-24-28(29)36-27(4)5/h21-22,24-25,27H,6-20,23,26H2,1-5H3
InChIKey LWAJEPXWMBSOKJ-UHFFFAOYSA-N
Mol Weight 518.8 g/mol
Molecular Formula C32H54O5
Exact Mass 518.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EB0OLQS1Fu1
Name Diethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.397124834 u
Formula C32H54O5
InChI InChI=1S/C32H54O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-30(33)32(7-2,8-3)31(34)37-29-25-22-21-24-28(29)36-27(4)5/h21-22,24-25,27H,6-20,23,26H2,1-5H3
InChIKey LWAJEPXWMBSOKJ-UHFFFAOYSA-N
Molecular Weight 518.779 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC