| SpectraBase Spectrum ID |
7BoEXr8SYcX |
| Name |
Methyl trichloroacetate |
| Source of Sample |
Sigma-Aldrich Cat. #47665-U |
| CAS Registry Number |
598-99-2 |
| 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 |
175.919862435 u |
| Formula |
C3H3Cl3O2 |
| InChI |
InChI=1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3 |
| InChIKey |
VHFUHRXYRYWELT-UHFFFAOYSA-N |
| Molecular Weight |
177.414 g/mol |
| Number of Peaks |
90 |
| RI1 |
912 |
| SMILES |
C(C(Cl)(Cl)Cl)(=O)OC |
| SPLASH |
splash10-0aor-9400000000-8711fa57931ae3b36045 |
| 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, 2,2,2-trichloro-, methyl ester |
| Wiley ID |
LM_PEST_499 |
