Fenbuconazole
Fenbuconazole Structure
Systematic / IUPAC Name: 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile
ID: Reference2839
Other Names:
Fenethanil;
α-[2-(4-Chlorophenyl)ethyl]-α-phenyl-1H-1,2,4-triazole-1-propanenitrile;
1H-1,2,4-Triazole-1-propanenitrile, α-[2-(4-chlorophenyl)ethyl]-α-phenyl-;
4-(4-Chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;
4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile
Formula: C19H17ClN4
Class: Pesticides/Herbicides
Spectral Data
Fenbuconazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/19/2015 12:34:40 PM |
Identificators
| InChI | InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2 |
| InChI Key | RQDJADAKIFFEKQ-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N |
| CAS | 114369436 |
| Splash | |
| Other Names |
Fenethanil; α-[2-(4-Chlorophenyl)ethyl]-α-phenyl-1H-1,2,4-triazole-1-propanenitrile; 1H-1,2,4-Triazole-1-propanenitrile, α-[2-(4-chlorophenyl)ethyl]-α-phenyl-; 4-(4-Chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile; 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile; Fenbuconazol |
In Other Databases
| KEGG | C18461 |
| ChemIDPlus | EE4061402; 114369436; 119611006 |
| PubChem | 86138 |
| ChEBI | CHEBI:83920 |
| ChemSpider | 77712 |
| Wikipedia | Fenbuconazol (DE) |