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Diethylmalonic acid, 2-chlorophenyl nonyl ester

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Diethylmalonic acid, 2-chlorophenyl nonyl ester
SpectraBase Compound ID 8N4FEctgkBC
InChI InChI=1S/C22H33ClO4/c1-4-7-8-9-10-11-14-17-26-20(24)22(5-2,6-3)21(25)27-19-16-13-12-15-18(19)23/h12-13,15-16H,4-11,14,17H2,1-3H3
InChIKey ZHZHLIZHAFRJCF-UHFFFAOYSA-N
Mol Weight 397.0 g/mol
Molecular Formula C22H33ClO4
Exact Mass 396.206737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0EXGEy5hyN
Name Diethylmalonic acid, 2-chlorophenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.206737239 u
Formula C22H33ClO4
InChI InChI=1S/C22H33ClO4/c1-4-7-8-9-10-11-14-17-26-20(24)22(5-2,6-3)21(25)27-19-16-13-12-15-18(19)23/h12-13,15-16H,4-11,14,17H2,1-3H3
InChIKey ZHZHLIZHAFRJCF-UHFFFAOYSA-N
Molecular Weight 396.955 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC