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Propiconazole
SpectraBase Compound ID AOZFHA89xpH
InChI InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
InChIKey STJLVHWMYQXCPB-UHFFFAOYSA-N
Mol Weight 342.23 g/mol
Molecular Formula C15H17Cl2N3O2
Exact Mass 341.069782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Y2HAxfwxnR
Name Propiconazole isomer II
Source of Sample Sigma-Aldrich Cat. #45642
CAS Registry Number 60207-90-1
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 341.069782197 u
Formula C15H17Cl2N3O2
InChI InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
InChIKey STJLVHWMYQXCPB-UHFFFAOYSA-N
Molecular Weight 342.226 g/mol
Number of Peaks 50
RI1 2346
SMILES CCCC1COC(C[n]2cncn2)(c2ccc(cc2Cl)Cl)O1
SPLASH splash10-014i-9520000000-1bd1fc46fdf08f466a9b
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-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-
Wiley ID LM_PEST_205