| 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 |
