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Simetryn
SpectraBase Compound ID 6etYd7zUuN5
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
Mol Weight 213.3 g/mol
Molecular Formula C8H15N5S
Exact Mass 213.104817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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