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2,4-Dichlorophenylacetic acid methyl ester
SpectraBase Compound ID H8OYvzsQX3p
InChI InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
InChIKey SRCVNBFTEARRJY-UHFFFAOYSA-N
Mol Weight 219.07 g/mol
Molecular Formula C9H8Cl2O2
Exact Mass 217.990135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDAwoxuv50x
Name 2,4-Dichlorophenylacetic acid methyl ester
Source of Sample Metabolite of Spirodiclofen; Sigma-Aldrich Cat. #861272
CAS Registry Number 55954-23-9
Classification Pesticides: Degradation product, Metabolites
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 217.990134896 u
Formula C9H8Cl2O2
InChI InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
InChIKey SRCVNBFTEARRJY-UHFFFAOYSA-N
Molecular Weight 219.067 g/mol
Number of Peaks 48
RI1 1500
SMILES c1(c(CC(=O)OC)ccc(c1)Cl)Cl
SPLASH splash10-0bu0-2900000000-dd1797f6769d87c4b1ce
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzeneacetic acid, 2,4-dichloro-, methyl ester
Wiley ID LM_PEST_722