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Nitralin
SpectraBase Compound ID 3CFmVqFwJDc
InChI InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
InChIKey UMKANAFDOQQUKE-UHFFFAOYSA-N
Mol Weight 345.37 g/mol
Molecular Formula C13H19N3O6S
Exact Mass 345.099457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GykmmCZuKLl
Name Nitralin
Source of Sample Sigma-Aldrich Cat. #36178
CAS Registry Number 4726-14-1
Classification Pesticides: Herbicides
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N3O6S
InChI InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
InChIKey UMKANAFDOQQUKE-UHFFFAOYSA-N
Number of Peaks 48
RI1 2408
SMILES c1c(c(c(cc1S(C)(=O)=O)N(=O)=O)N(CCC)CCC)N(=O)=O
SPLASH splash10-01bc-9267000000-e5c507dfe8a4e8f46908
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
Wiley ID LM_PEST_545