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Deisopropyl atraton
SpectraBase Compound ID imE0ofQjOJ
InChI InChI=1S/C6H11N5O/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H3,7,8,9,10,11)
InChIKey MZOHHVOQVUFCIY-UHFFFAOYSA-N
Mol Weight 169.19 g/mol
Molecular Formula C6H11N5O
Exact Mass 169.09636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ce3jFIGFsHa
Name Deisopropyl atraton
Source of Sample Sigma-Aldrich Cat. #36516
CAS Registry Number 30360-56-6
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 169.096359993 u
Formula C6H11N5O
InChI InChI=1S/C6H11N5O/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H3,7,8,9,10,11)
InChIKey MZOHHVOQVUFCIY-UHFFFAOYSA-N
Molecular Weight 169.188 g/mol
Number of Peaks 49
RI1 1611
SMILES N(CC)c1nc(N)nc(n1)OC
SPLASH splash10-014l-7900000000-f1417bc403b62c0f6119
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-ethyl-6-methoxy-
Wiley ID LM_PEST_606