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Difenoconazole
SpectraBase Compound ID FDNnidiUJyq
InChI InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3
InChIKey BQYJATMQXGBDHF-UHFFFAOYSA-N
Mol Weight 406.27 g/mol
Molecular Formula C19H17Cl2N3O3
Exact Mass 405.064697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTDr12uRpFC
Name Difenoconazole isomer II
Source of Sample Sigma-Aldrich Cat. #36531
CAS Registry Number 119446-68-3
Classification Pesticides: Fungicides
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17Cl2N3O3
InChI InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3
InChIKey BQYJATMQXGBDHF-UHFFFAOYSA-N
Number of Peaks 50
RI1 3018
SMILES C1(c2c(cc(cc2)Oc2ccc(cc2)Cl)Cl)(C[n]2ncnc2)OC(C)CO1
SPLASH splash10-01b9-1298000000-935c32ddcd73f5ceb1e1
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-
Wiley ID LM_PEST_161