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Acetic acid, (2,4-dichlorophenoxy)-, 2-methylheptyl ester
SpectraBase Compound ID HKIyFkDTJaH
InChI InChI=1S/C16H22Cl2O3/c1-3-4-5-6-12(2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey WSIWNKXXOHNGRO-UHFFFAOYSA-N
Mol Weight 333.26 g/mol
Molecular Formula C16H22Cl2O3
Exact Mass 332.0946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ig780ptpRM
Name Acetic acid, (2,4-dichlorophenoxy)-, 2-methylheptyl ester
Alternate Name(s) (2,4-Dichlorophenoxy)-6-methylheptyl ester of acetic acid 2-Methylheptyl 2,4-dichlorophenoxyacetate
CAS Registry Number 52716-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22Cl2O3
InChI InChI=1S/C16H22Cl2O3/c1-3-4-5-6-12(2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey WSIWNKXXOHNGRO-UHFFFAOYSA-N
Molecular Weight 333.255 g/mol
SMILES c1(cc(Cl)ccc1OCC(=O)OCC(CCCCC)C)Cl
SPLASH splash10-0abc-9111000000-ef83e9ed7b9e3fc120d0
Source of Spectrum RB-1982-10634-0
Wiley ID 1329201