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Dimethylmalonic acid, nonyl pentachlorophenyl ester

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Dimethylmalonic acid, nonyl pentachlorophenyl ester
SpectraBase Compound ID AT455omK9NE
InChI InChI=1S/C20H25Cl5O4/c1-4-5-6-7-8-9-10-11-28-18(26)20(2,3)19(27)29-17-15(24)13(22)12(21)14(23)16(17)25/h4-11H2,1-3H3
InChIKey XIDDLXUPAOUEPY-UHFFFAOYSA-N
Mol Weight 506.7 g/mol
Molecular Formula C20H25Cl5O4
Exact Mass 504.019548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSRSD0EoUyX
Name Dimethylmalonic acid, nonyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.019547781 u
Formula C20H25Cl5O4
InChI InChI=1S/C20H25Cl5O4/c1-4-5-6-7-8-9-10-11-28-18(26)20(2,3)19(27)29-17-15(24)13(22)12(21)14(23)16(17)25/h4-11H2,1-3H3
InChIKey XIDDLXUPAOUEPY-UHFFFAOYSA-N
Molecular Weight 506.681 g/mol
SMILES CCCCCCCCCOC(C(C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)(C)C)=O