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PENDIMETHALIN;N-(1-ETHYLPROPYL)-3,4-DIMETHYL-2,6-DINITROBENZENAMINE
SpectraBase Compound ID 6PdUo8QjunG
InChI InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
InChIKey CHIFOSRWCNZCFN-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C13H19N3O4
Exact Mass 281.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjbFAku7srA
Name Pendimethalin
Source of Sample Sigma-Aldrich Cat. #36191
CAS Registry Number 40487-42-1
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 281.137556100 u
Formula C13H19N3O4
InChI InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
InChIKey CHIFOSRWCNZCFN-UHFFFAOYSA-N
Molecular Weight 281.312 g/mol
Number of Peaks 50
RI1 2035
SMILES N(c1c(cc(C)c(C)c1N(=O)=O)N(=O)=O)C(CC)CC
SPLASH splash10-0udi-9860000000-33736c8d0053420f14b2
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 Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-
Wiley ID LM_PEST_10