For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Gvz9CM8N1b8
Name Difenoconazole isomer I
Source of Sample Sigma-Aldrich Cat. #36531
CAS Registry Number 119446-68-3
Classification Pesticides: Fungicides
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 405.064696816 u
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
Molecular Weight 406.269 g/mol
Number of Peaks 50
RI1 3008
SMILES C1(c2c(cc(cc2)Oc2ccc(cc2)Cl)Cl)(C[n]2ncnc2)OC(C)CO1
SPLASH splash10-01b9-1298000000-fab342b354508288c724
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 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_160