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3,4-Dichlorobenzoic acid methyl ester
SpectraBase Compound ID 95EaHlxnLUb
InChI InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey WICGATIORFSOJL-UHFFFAOYSA-N
Mol Weight 205.04 g/mol
Molecular Formula C8H6Cl2O2
Exact Mass 203.974485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R9OZ4XAm0S
Name Methyl 3,4-dichlorobenzoate
Source of Sample Degradation product of Piperalin
CAS Registry Number 2905-68-2
Classification Pesticides: Artifacts, Degradation product
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 203.974484831 u
Formula C8H6Cl2O2
InChI InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey WICGATIORFSOJL-UHFFFAOYSA-N
Molecular Weight 205.040 g/mol
Number of Peaks 46
RI1 1423
SMILES COC(=O)c1cc(Cl)c(Cl)cc1
SPLASH splash10-00fr-2910000000-30bc29c3c33b1b733472
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 Benzoic acid, 3,4-dichloro-, methyl ester
Wiley ID LM_PEST_203