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Diniconazol mixture of Z And E isomers
SpectraBase Compound ID BfBwkqcceQl
InChI InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
InChIKey FBOUIAKEJMZPQG-AWNIVKPZSA-N
Mol Weight 326.23 g/mol
Molecular Formula C15H17Cl2N3O
Exact Mass 325.074868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iw494Uo950o
Name Diniconazol mixture of Z And E isomers
Source of Sample Sigma-Aldrich Cat. #46049
CAS Registry Number 70217-36-6
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 325.074867578 u
Formula C15H17Cl2N3O
InChI InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
InChIKey FBOUIAKEJMZPQG-AWNIVKPZSA-N
Molecular Weight 326.227 g/mol
Number of Peaks 47
RI1 2256
SMILES OC(\C(=C/c1c(Cl)cc(Cl)cc1)[n]1ncnc1)C(C)(C)C
SPLASH splash10-00xr-9260000000-86adc9c2527c67e5ad66
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-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-
Wiley ID LM_PEST_165