| SpectraBase Spectrum ID |
DlxfAz4TrA8 |
| Name |
Simazine |
| CAS Registry Number |
122-34-9 |
| Classification |
Herbicide |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
201.661 g/mol |
| Nominal Mass |
201 u |
| Quality |
899 |
| Retention Index |
1690 |
| SMILES |
C=1(N=C(NCC)N=C(N1)Cl)NCC |
| SPLASH |
splash10-0006-9420000000-2374ded4db2184f3843f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003899 |
