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Terbutylazine desethyl
SpectraBase Compound ID 4CUHBHBHPxC
InChI InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
InChIKey LMKQNTMFZLAJDV-UHFFFAOYSA-N
Mol Weight 201.66 g/mol
Molecular Formula C7H12ClN5
Exact Mass 201.078123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRuBmUMmuBk
Name Terbutylazine desethyl
Source of Sample LGC Cat. #DRE-C17303000; www.lgcstandards.com
CAS Registry Number 30125-63-4
Classification Pesticides: Metabolites
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/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
InChIKey LMKQNTMFZLAJDV-UHFFFAOYSA-N
Molecular Weight 201.661 g/mol
Number of Peaks 156
RI1 1675
RI2 1638
SMILES Nc1nc(nc(n1)NC(C)(C)C)Cl
SPLASH splash10-000l-6900000000-0e2a32210195af33e06e
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-(1,1-dimethylethyl)-
Wiley ID LM_PEST_1029