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Benfluralin
SpectraBase Compound ID 1DWsZAJOrj8
InChI InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
InChIKey SMDHCQAYESWHAE-UHFFFAOYSA-N
Mol Weight 335.28 g/mol
Molecular Formula C13H16F3N3O4
Exact Mass 335.10929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyhiN8bSzqN
Name Benfluralin
Source of Sample Sigma-Aldrich Cat. #45337
CAS Registry Number 1861-40-1
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 335.109290492 u
Formula C13H16F3N3O4
InChI InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
InChIKey SMDHCQAYESWHAE-UHFFFAOYSA-N
Molecular Weight 335.283 g/mol
Number of Peaks 48
RI1 1672
SMILES c1c(cc(c(c1N(=O)=O)N(CC)CCCC)N(=O)=O)C(F)(F)F
SPLASH splash10-0006-3290000000-4f81ecaae07b9ddf0853
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-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)-
Wiley ID LM_PEST_56