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Dimethylmalonic acid, 2,5-dichlorophenyl octyl ester

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Dimethylmalonic acid, 2,5-dichlorophenyl octyl ester
SpectraBase Compound ID 8iK3VoYKnUq
InChI InChI=1S/C19H26Cl2O4/c1-4-5-6-7-8-9-12-24-17(22)19(2,3)18(23)25-16-13-14(20)10-11-15(16)21/h10-11,13H,4-9,12H2,1-3H3
InChIKey HGUSUQPGZZKWHV-UHFFFAOYSA-N
Mol Weight 389.32 g/mol
Molecular Formula C19H26Cl2O4
Exact Mass 388.120815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdgAMw2NRnp
Name Dimethylmalonic acid, 2,5-dichlorophenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.120814713 u
Formula C19H26Cl2O4
InChI InChI=1S/C19H26Cl2O4/c1-4-5-6-7-8-9-12-24-17(22)19(2,3)18(23)25-16-13-14(20)10-11-15(16)21/h10-11,13H,4-9,12H2,1-3H3
InChIKey HGUSUQPGZZKWHV-UHFFFAOYSA-N
Molecular Weight 389.319 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCC)=O)(C)C)=O)Cl