| SpectraBase Spectrum ID |
DWwft4IXxVF |
| Name |
Simazine |
| Source of Sample |
Sigma-Aldrich Cat. #32059 |
| CAS Registry Number |
122-34-9 |
| 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 |
201.078123106 u |
| Formula |
C7H12ClN5 |
| InChI |
InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
| InChIKey |
ODCWYMIRDDJXKW-UHFFFAOYSA-N |
| Molecular Weight |
201.661 g/mol |
| Number of Peaks |
49 |
| RI1 |
1738 |
| SMILES |
N(c1nc(nc(n1)Cl)NCC)CC |
| SPLASH |
splash10-0fdx-9630000000-fee4c81a1843edf8f556 |
| 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, 6-chloro-N2,N4-diethyl- |
| Wiley ID |
LM_PEST_74 |
