| SpectraBase Spectrum ID |
82nJiQKVeGH |
| Name |
Simetryn |
| Source of Sample |
Sigma-Aldrich Cat. #45660 |
| CAS Registry Number |
1014-70-6 |
| 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 |
213.104816677 u |
| Formula |
C8H15N5S |
| InChI |
InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) |
| InChIKey |
MGLWZSOBALDPEK-UHFFFAOYSA-N |
| Molecular Weight |
213.303 g/mol |
| Number of Peaks |
50 |
| RI1 |
1897 |
| SMILES |
N(c1nc(nc(n1)SC)NCC)CC |
| SPLASH |
splash10-044l-9730000000-038f74b1c9172e6a1fa5 |
| 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 |
1,3,5-Triazine-2,4-diamine, N2,N4-diethyl-6-(methylthio)- |
| Wiley ID |
LM_PEST_616 |
