| SpectraBase Spectrum ID |
4x2wPGiKb3d |
| Name |
2,4,6-trichloroanisole |
| Source of Sample |
Metabolite of 2,4,6-Trichlorophenol; Sigma-Aldrich Cat. #34384 |
| CAS Registry Number |
87-40-1 |
| Classification |
Pesticides: Fungicides, 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 |
209.940597880 u |
| Formula |
C7H5Cl3O |
| InChI |
InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3 |
| InChIKey |
WCVOGSZTONGSQY-UHFFFAOYSA-N |
| Molecular Weight |
211.475 g/mol |
| Number of Peaks |
49 |
| RI1 |
1325 |
| SMILES |
c1c(cc(c(OC)c1Cl)Cl)Cl |
| SPLASH |
splash10-01ot-2930000000-4c4da4b4f12884f1d8ac |
| 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 |
Benzene, 1,3,5-trichloro-2-methoxy- |
| Wiley ID |
LM_PEST_777 |
