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Dimethylmalonic acid, 2,5-dichlorophenyl nonyl ester

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Dimethylmalonic acid, 2,5-dichlorophenyl nonyl ester
SpectraBase Compound ID 7uYLsChxXWG
InChI InChI=1S/C20H28Cl2O4/c1-4-5-6-7-8-9-10-13-25-18(23)20(2,3)19(24)26-17-14-15(21)11-12-16(17)22/h11-12,14H,4-10,13H2,1-3H3
InChIKey JJXVYNCDJSXWEW-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IF3ynFWrOWF
Name Dimethylmalonic acid, 2,5-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.136464778 u
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-4-5-6-7-8-9-10-13-25-18(23)20(2,3)19(24)26-17-14-15(21)11-12-16(17)22/h11-12,14H,4-10,13H2,1-3H3
InChIKey JJXVYNCDJSXWEW-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCC)=O)(C)C)=O)Cl