| 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 |
