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Diethylmalonic acid, 2,3-dichlorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,3-dichlorophenyl hexadecyl ester
SpectraBase Compound ID FRMk901CGCL
InChI InChI=1S/C29H46Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(32)29(5-2,6-3)28(33)35-25-22-20-21-24(30)26(25)31/h20-22H,4-19,23H2,1-3H3
InChIKey YDNTULDKGHUYLT-UHFFFAOYSA-N
Mol Weight 529.6 g/mol
Molecular Formula C29H46Cl2O4
Exact Mass 528.277315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qAerOb7cJP
Name Diethylmalonic acid, 2,3-dichlorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.277315357 u
Formula C29H46Cl2O4
InChI InChI=1S/C29H46Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(32)29(5-2,6-3)28(33)35-25-22-20-21-24(30)26(25)31/h20-22H,4-19,23H2,1-3H3
InChIKey YDNTULDKGHUYLT-UHFFFAOYSA-N
Molecular Weight 529.589 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)Cl)Cl)=O)CC