For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Simazine
SpectraBase Compound ID IrjqAGoX4Ji
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
Mol Weight 201.66 g/mol
Molecular Formula C7H12ClN5
Exact Mass 201.078123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 96FbCSDJ372
Name Simazine
Source of Sample Sigma-Aldrich Cat. #32059
CAS Registry Number 122-34-9
Classification Pesticides: Herbicides
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
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
Number of Peaks 49
RI1 1738
SMILES c1(nc(nc(n1)Cl)NCC)NCC
SPLASH splash10-0fdx-9630000000-fee4c81a1843edf8f556
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