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Acetic acid, dichloro-,methyl ester
SpectraBase Compound ID 62WQZoNBFjI
InChI InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChIKey HKMLRUAPIDAGIE-UHFFFAOYSA-N
Mol Weight 142.97 g/mol
Molecular Formula C3H4Cl2O2
Exact Mass 141.958835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbSeSsOtBMs
Name Methyl dichloroacetate
Source of Sample Sigma-Aldrich Cat. #36547
CAS Registry Number 116-54-1
Classification Pesticides: Herbicides
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 141.958834767 u
Formula C3H4Cl2O2
InChI InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChIKey HKMLRUAPIDAGIE-UHFFFAOYSA-N
Molecular Weight 142.969 g/mol
Number of Peaks 77
RI1 833
SMILES C(Cl)(C(=O)OC)Cl
SPLASH splash10-0a4i-9000000000-aea2c46f616ab369ea27
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 Acetic acid, 2,2-dichloro-, methyl ester
Wiley ID LM_PEST_498