Penconazole

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Systematic / IUPAC Name: 1-[2-(2,4-Dichlorophenyl)pentyl]-1H-1,2,4-triazole

ID: Reference2448

Other Names: Topas;
Topaze;
Onmex;
1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-;
1-[2-(2,4-Dichlorophenyl)pentyl]-1,2,4-triazole ; more

Formula: C13H15Cl2N3

Class: Pesticides/Herbicides

Spectral Data

Penconazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 1126
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/13/2015 11:05:15 AM
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Identificators

InChI InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
InChI Key WKBPZYKAUNRMKP-UHFFFAOYSA-N
Canonical SMILES CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
CAS 66246886
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Other Names Topas;
Topaze;
Onmex;
1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-;
1-[2-(2,4-Dichlorophenyl)pentyl]-1,2,4-triazole;
1-[2--n-Pentyl]-1H-1,2,4-triazole;
1-[2-(2,4-Dichlorophenyl)-n-pentyl]-1H-1,2,4-triazole

In Other Databases

ChemIDPlus 066246886
ChemSpider 82796
Wikipedia Penconazol (DE)
KEGG C18801
ChEBI CHEBI:83993
PubChem 91693