| SpectraBase Spectrum ID |
JSqdEh5buou |
| Name |
Triclosan methyl |
| Source of Sample |
Metabolite of Triclosan; Sigma-Aldrich Cat. #34228 |
| CAS Registry Number |
4640-01-1 |
| Classification |
Pesticides: Bactericides, 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 |
301.966812628 u |
| Formula |
C13H9Cl3O2 |
| InChI |
InChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3 |
| InChIKey |
NLYDHBBTVWMLFD-UHFFFAOYSA-N |
| Molecular Weight |
303.572 g/mol |
| Number of Peaks |
50 |
| RI1 |
2123 |
| SMILES |
c1(ccc(cc1OC)Cl)Oc1c(cc(cc1)Cl)Cl |
| SPLASH |
splash10-0udi-2269000000-c0625d9c45de801b2cdc |
| 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, 4-chloro-1-(2,4-dichlorophenoxy)-2-methoxy- |
| Wiley ID |
LM_PEST_775 |
